Warning: Permanently added '3.81.47.192' (ECDSA) to the list of known hosts. Running: /usr/bin/copr-rpmbuild --verbose --drop-resultdir --build-id 1758711 --chroot fedora-rawhide-aarch64 --detached Version: 0.40 Task: {'build_id': 1758711, 'buildroot_pkgs': [], 'chroot': 'fedora-rawhide-aarch64', 'enable_net': True, 'fetch_sources_only': True, 'git_hash': '79e9a18280206892e595ea8782f985dfb715a521', 'git_repo': 'alexpl/openbabel/openbabel', 'memory_reqs': 2048, 'package_name': 'openbabel', 'package_version': '3.1.1-4.20201103git9c001b5.fc33', 'project_dirname': 'openbabel', 'project_name': 'openbabel', 'project_owner': 'alexpl', 'repos': [{'baseurl': 'https://download.copr.fedorainfracloud.org/results/alexpl/openbabel/fedora-rawhide-aarch64/', 'id': 'copr_base', 'name': 'Copr repository'}], 'sandbox': 'alexpl/openbabel--alexpl', 'source_json': {'clone_url': 'https://copr-dist-git.fedorainfracloud.org/git/alexpl/openbabel/openbabel.git', 'committish': '79e9a18280206892e595ea8782f985dfb715a521'}, 'source_type': 8, 'submitter': 'alexpl', 'task_id': '1758711-fedora-rawhide-aarch64', 'timeout': 108000, 'use_bootstrap_container': True, 'uses_devel_repo': False, 'with_opts': [], 'without_opts': []} Running: git clone https://copr-dist-git.fedorainfracloud.org/git/alexpl/openbabel/openbabel.git /tmp/copr-rpmbuild-8tcprn_y/obtain-sources/openbabel --depth 500 --no-single-branch cmd: ['git', 'clone', 'https://copr-dist-git.fedorainfracloud.org/git/alexpl/openbabel/openbabel.git', '/tmp/copr-rpmbuild-8tcprn_y/obtain-sources/openbabel', '--depth', '500', '--no-single-branch'] cwd: . rc: 0 stdout: stderr: Cloning into '/tmp/copr-rpmbuild-8tcprn_y/obtain-sources/openbabel'... Running: git checkout 79e9a18280206892e595ea8782f985dfb715a521 cmd: ['git', 'checkout', '79e9a18280206892e595ea8782f985dfb715a521'] cwd: /tmp/copr-rpmbuild-8tcprn_y/obtain-sources/openbabel rc: 0 stdout: stderr: Note: switching to '79e9a18280206892e595ea8782f985dfb715a521'. You are in 'detached HEAD' state. You can look around, make experimental changes and commit them, and you can discard any commits you make in this state without impacting any branches by switching back to a branch. If you want to create a new branch to retain commits you create, you may do so (now or later) by using -c with the switch command. Example: git switch -c Or undo this operation with: git switch - Turn off this advice by setting config variable advice.detachedHead to false HEAD is now at 79e9a18 automatic import of openbabel Running: cp -r . /tmp/copr-rpmbuild-8tcprn_y cmd: ['cp', '-r', '.', '/tmp/copr-rpmbuild-8tcprn_y'] cwd: /tmp/copr-rpmbuild-8tcprn_y/obtain-sources/openbabel rc: 0 stdout: stderr: Generated rpkg config: [rpkg] preprocess_spec = True # auto-packing is deprecated: auto_pack = True [git] lookaside = https://copr-dist-git.fedorainfracloud.org/repo/pkgs/%(ns2)s/%(ns1)s/%(name)s/%(filename)s/%(hashtype)s/%(hash)s/%(filename)s anongiturl = https://copr-dist-git.fedorainfracloud.org/git/%(module)s Writing config into /tmp/copr-rpmbuild-8tcprn_y/obtain-sources/.config/rpkg.conf Running: rpkg -C /tmp/copr-rpmbuild-8tcprn_y/obtain-sources/.config/rpkg.conf sources --outdir /tmp/copr-rpmbuild-8tcprn_y cmd: ['rpkg', '-C', '/tmp/copr-rpmbuild-8tcprn_y/obtain-sources/.config/rpkg.conf', 'sources', '--outdir', '/tmp/copr-rpmbuild-8tcprn_y'] cwd: /tmp/copr-rpmbuild-8tcprn_y/obtain-sources/openbabel rc: 0 stdout: Downloading openbabel-9c001b5aeb8b985f26d111d811673150607662fa.tar.gz from lookaside cache at copr-dist-git.fedorainfracloud.org stderr: /usr/bin/tail: /var/lib/copr-rpmbuild/main.log: file truncated Running (timeout=108000): unbuffer mock --buildsrpm --spec /tmp/copr-rpmbuild-8tcprn_y/openbabel.spec --sources /tmp/copr-rpmbuild-8tcprn_y --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1605003826.552645 -r /var/lib/copr-rpmbuild/results/configs/child.cfg INFO: mock.py version 2.6 starting (python version = 3.9.0)... Start(bootstrap): init plugins INFO: tmpfs initialized INFO: selinux enabled INFO: chroot_scan: initialized INFO: compress_logs: initialized Finish(bootstrap): init plugins Start: init plugins INFO: tmpfs initialized INFO: selinux enabled INFO: chroot_scan: initialized INFO: compress_logs: initialized Finish: init plugins INFO: Signal handler active Start: run INFO: Start(/tmp/copr-rpmbuild-8tcprn_y/openbabel.spec) Config(fedora-rawhide-aarch64) Start: clean chroot Finish: clean chroot Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-aarch64-bootstrap-1605003826.552645/root. INFO: calling preinit hooks INFO: enabled root cache INFO: enabled package manager cache Start(bootstrap): cleaning package manager metadata Finish(bootstrap): cleaning package manager metadata INFO: enabled HW Info plugin Mock Version: 2.6 INFO: Mock Version: 2.6 Start(bootstrap): dnf install No matches found for the following disable plugin patterns: local, spacewalk Copr repository 341 kB/s | 43 kB 00:00 fedora 19 MB/s | 69 MB 00:03 Dependencies resolved. ======================================================================================== Package Arch Version Repo Size ======================================================================================== Installing: [1mdnf [m noarch 4.4.0-3.fc34 fedora 445 k [1mdnf-plugins-core [m noarch 4.0.18-1.fc34 fedora 34 k Installing dependencies: [1malternatives [m aarch64 1.14-3.fc33 fedora 35 k [1maudit-libs [m aarch64 3.0-0.21.20191104git1c2f876.fc33 fedora 112 k [1mbasesystem [m noarch 11-10.fc33 fedora 6.8 k [1mbash [m aarch64 5.0.17-2.fc33 fedora 1.6 M [1mbzip2-libs [m aarch64 1.0.8-4.fc33 fedora 42 k [1mca-certificates [m noarch 2020.2.41-4.fc33 fedora 352 k [1mcoreutils [m aarch64 8.32-14.fc34 fedora 1.1 M [1mcoreutils-common [m aarch64 8.32-14.fc34 fedora 2.0 M [1mcrypto-policies [m noarch 20200918-1.git85dccc5.fc34 fedora 57 k [1mcurl [m aarch64 7.73.0-2.fc34 fedora 296 k [1mcyrus-sasl-lib [m aarch64 2.1.27-6.fc33 fedora 104 k [1mdnf-data [m noarch 4.4.0-3.fc34 fedora 46 k [1melfutils-default-yama-scope [m noarch 0.182-1.fc34 fedora 17 k [1melfutils-libelf [m aarch64 0.182-1.fc34 fedora 195 k [1melfutils-libs [m aarch64 0.182-1.fc34 fedora 270 k [1mexpat [m aarch64 2.2.8-3.fc33 fedora 98 k [1mfedora-gpg-keys [m noarch 34-0.8 fedora 107 k [1mfedora-release [m noarch 34-0.9 fedora 12 k [1mfedora-release-common [m noarch 34-0.9 fedora 21 k [1mfedora-release-identity-basic [m noarch 34-0.9 fedora 13 k [1mfedora-repos [m noarch 34-0.8 fedora 11 k [1mfedora-repos-rawhide [m noarch 34-0.8 fedora 10 k [1mfile-libs [m aarch64 5.39-3.fc34 fedora 591 k [1mfilesystem [m aarch64 3.14-4.fc34 fedora 1.1 M [1mgawk [m aarch64 5.1.0-2.fc33 fedora 986 k [1mgdbm-libs [m aarch64 1:1.18.1-5.fc33 fedora 53 k [1mglib2 [m aarch64 2.67.0-2.fc34 fedora 2.6 M [1mglibc [m aarch64 2.32.9000-14.fc34 fedora 3.4 M [1mglibc-common [m aarch64 2.32.9000-14.fc34 fedora 1.8 M [1mglibc-minimal-langpack [m aarch64 2.32.9000-14.fc34 fedora 95 k [1mgmp [m aarch64 1:6.2.0-5.fc34 fedora 272 k [1mgnupg2 [m aarch64 2.2.23-1.fc34 fedora 2.3 M [1mgnutls [m aarch64 3.6.15-2.fc34 fedora 889 k [1mgpgme [m aarch64 1.14.0-2.fc33 fedora 200 k [1mgrep [m aarch64 3.5-1.fc34 fedora 258 k [1mima-evm-utils [m aarch64 1.3.2-1.fc34 fedora 61 k [1mjson-c [m aarch64 0.14-7.fc33 fedora 41 k [1mkeyutils-libs [m aarch64 1.6-5.fc33 fedora 31 k [1mkrb5-libs [m aarch64 1.18.2-29.fc34 fedora 738 k [1mlibacl [m aarch64 2.2.53-9.fc34 fedora 23 k [1mlibarchive [m aarch64 3.4.3-3.fc33 fedora 390 k [1mlibassuan [m aarch64 2.5.3-4.fc33 fedora 66 k [1mlibattr [m aarch64 2.4.48-10.fc33 fedora 18 k [1mlibblkid [m aarch64 2.36-3.fc34 fedora 103 k [1mlibbrotli [m aarch64 1.0.9-3.fc34 fedora 324 k [1mlibcap [m aarch64 2.44-1.fc34 fedora 60 k [1mlibcap-ng [m aarch64 0.8-1.fc34 fedora 28 k [1mlibcom_err [m aarch64 1.45.6-4.fc33 fedora 27 k [1mlibcomps [m aarch64 0.1.15-5.fc33 fedora 77 k [1mlibcurl [m aarch64 7.73.0-2.fc34 fedora 279 k [1mlibdb [m aarch64 5.3.28-44.fc33 fedora 741 k [1mlibdnf [m aarch64 0.54.2-3.fc34 fedora 562 k [1mlibffi [m aarch64 3.1-26.fc33 fedora 32 k [1mlibgcc [m aarch64 10.2.1-7.fc34 fedora 94 k [1mlibgcrypt [m aarch64 1.8.6-4.fc34 fedora 417 k [1mlibgomp [m aarch64 10.2.1-7.fc34 fedora 258 k [1mlibgpg-error [m aarch64 1.37-2.fc33 fedora 204 k [1mlibidn2 [m aarch64 2.3.0-4.fc33 fedora 104 k [1mlibksba [m aarch64 1.4.0-1.fc34 fedora 149 k [1mlibmetalink [m aarch64 0.1.3-13.fc33 fedora 30 k [1mlibmodulemd [m aarch64 2.9.4-3.fc33 fedora 176 k [1mlibmount [m aarch64 2.36-3.fc34 fedora 131 k [1mlibnghttp2 [m aarch64 1.41.0-3.fc33 fedora 72 k [1mlibnsl2 [m aarch64 1.3.0-1.fc34 fedora 57 k [1mlibpsl [m aarch64 0.21.1-2.fc33 fedora 61 k [1mlibrepo [m aarch64 1.12.1-1.fc34 fedora 94 k [1mlibreport-filesystem [m noarch 2.14.0-12.fc34 fedora 14 k [1mlibselinux [m aarch64 3.1-4.fc34 fedora 84 k [1mlibsemanage [m aarch64 3.1-4.fc34 fedora 113 k [1mlibsepol [m aarch64 3.1-4.fc34 fedora 279 k [1mlibsigsegv [m aarch64 2.11-11.fc33 fedora 26 k [1mlibsmartcols [m aarch64 2.36-3.fc34 fedora 61 k [1mlibsolv [m aarch64 0.7.15-1.fc34 fedora 378 k [1mlibssh [m aarch64 0.9.5-1.fc34 fedora 209 k [1mlibssh-config [m noarch 0.9.5-1.fc34 fedora 11 k [1mlibstdc++ [m aarch64 10.2.1-7.fc34 fedora 589 k [1mlibtasn1 [m aarch64 4.16.0-3.fc33 fedora 74 k [1mlibtirpc [m aarch64 1.2.6-2.rc4.fc33 fedora 95 k [1mlibunistring [m aarch64 0.9.10-9.fc33 fedora 510 k [1mlibusbx [m aarch64 1.0.23-2.fc33 fedora 71 k [1mlibuuid [m aarch64 2.36-3.fc34 fedora 28 k [1mlibverto [m aarch64 0.3.0-11.fc34 fedora 21 k [1mlibxcrypt [m aarch64 4.4.17-1.fc34 fedora 127 k [1mlibxml2 [m aarch64 2.9.10-7.fc34 fedora 729 k [1mlibyaml [m aarch64 0.2.5-3.fc33 fedora 60 k [1mlibzstd [m aarch64 1.4.5-6.fc34 fedora 294 k [1mlua-libs [m aarch64 5.4.1-1.fc34 fedora 213 k [1mlz4-libs [m aarch64 1.9.1-3.fc33 fedora 57 k [1mmpfr [m aarch64 4.1.0-2.fc33 fedora 244 k [1mncurses-base [m noarch 6.2-3.20200222.fc33 fedora 60 k [1mncurses-libs [m aarch64 6.2-3.20200222.fc33 fedora 322 k [1mnettle [m aarch64 3.6-3.fc33 fedora 423 k [1mnpth [m aarch64 1.6-5.fc33 fedora 24 k [1mopenldap [m aarch64 2.4.55-1.fc34 fedora 307 k [1mopenssl-libs [m aarch64 1:1.1.1g-15.fc33 fedora 1.4 M [1mp11-kit [m aarch64 0.23.21-2.fc34 fedora 351 k [1mp11-kit-trust [m aarch64 0.23.21-2.fc34 fedora 138 k [1mpcre [m aarch64 8.44-2.fc34 fedora 182 k [1mpcre2 [m aarch64 10.35-8.fc34 fedora 214 k [1mpcre2-syntax [m noarch 10.35-8.fc34 fedora 142 k [1mpopt [m aarch64 1.18-2.fc33 fedora 59 k [1mpublicsuffix-list-dafsa [m noarch 20190417-4.fc33 fedora 55 k [1mpython-pip-wheel [m noarch 20.2.4-1.fc34 fedora 1.3 M [1mpython-setuptools-wheel [m noarch 50.3.2-1.fc34 fedora 471 k [1mpython3 [m aarch64 3.9.0-1.fc34 fedora 28 k [1mpython3-dateutil [m noarch 1:2.8.1-2.fc33 fedora 289 k [1mpython3-distro [m noarch 1.5.0-4.fc33 fedora 36 k [1mpython3-dnf [m noarch 4.4.0-3.fc34 fedora 410 k [1mpython3-dnf-plugins-core [m noarch 4.0.18-1.fc34 fedora 191 k [1mpython3-gpg [m aarch64 1.14.0-2.fc33 fedora 264 k [1mpython3-hawkey [m aarch64 0.54.2-3.fc34 fedora 105 k [1mpython3-libcomps [m aarch64 0.1.15-5.fc33 fedora 51 k [1mpython3-libdnf [m aarch64 0.54.2-3.fc34 fedora 726 k [1mpython3-libs [m aarch64 3.9.0-1.fc34 fedora 7.4 M [1mpython3-rpm [m aarch64 4.16.0-3.fc34 fedora 98 k [1mpython3-setuptools [m noarch 50.3.2-1.fc34 fedora 760 k [1mpython3-six [m noarch 1.15.0-2.fc33 fedora 36 k [1mreadline [m aarch64 8.0-5.fc33 fedora 207 k [1mrpm [m aarch64 4.16.0-3.fc34 fedora 501 k [1mrpm-build-libs [m aarch64 4.16.0-3.fc34 fedora 93 k [1mrpm-libs [m aarch64 4.16.0-3.fc34 fedora 319 k [1mrpm-sign-libs [m aarch64 4.16.0-3.fc34 fedora 25 k [1msed [m aarch64 4.8-6.fc34 fedora 296 k [1msetup [m noarch 2.13.7-2.fc33 fedora 142 k [1mshadow-utils [m aarch64 2:4.8.1-5.fc34 fedora 1.2 M [1msqlite-libs [m aarch64 3.33.0-2.fc34 fedora 623 k [1msystemd-libs [m aarch64 246.6-3.fc34 fedora 563 k [1mtpm2-tss [m aarch64 3.0.1-1.fc34 fedora 530 k [1mtzdata [m noarch 2020d-1.fc34 fedora 430 k [1mxz-libs [m aarch64 5.2.5-3.fc33 fedora 90 k [1mzchunk-libs [m aarch64 1.1.5-3.fc33 fedora 48 k [1mzlib [m aarch64 1.2.11-22.fc33 fedora 96 k Transaction Summary ======================================================================================== Install 134 Packages Total download size: 52 M Installed size: 210 M Downloading Packages: (1/134): alternatives-1.14-3.fc33.aarch64.rpm 777 kB/s | 35 kB 00:00 (2/134): basesystem-11-10.fc33.noarch.rpm 144 kB/s | 6.8 kB 00:00 (3/134): audit-libs-3.0-0.21.20191104git1c2f876 1.8 MB/s | 112 kB 00:00 (4/134): bash-5.0.17-2.fc33.aarch64.rpm 50 MB/s | 1.6 MB 00:00 (5/134): ca-certificates-2020.2.41-4.fc33.noarc 19 MB/s | 352 kB 00:00 (6/134): coreutils-8.32-14.fc34.aarch64.rpm 65 MB/s | 1.1 MB 00:00 (7/134): crypto-policies-20200918-1.git85dccc5. 2.8 MB/s | 57 kB 00:00 (8/134): curl-7.73.0-2.fc34.aarch64.rpm 32 MB/s | 296 kB 00:00 (9/134): cyrus-sasl-lib-2.1.27-6.fc33.aarch64.r 14 MB/s | 104 kB 00:00 (10/134): coreutils-common-8.32-14.fc34.aarch64 32 MB/s | 2.0 MB 00:00 (11/134): bzip2-libs-1.0.8-4.fc33.aarch64.rpm 412 kB/s | 42 kB 00:00 (12/134): dnf-plugins-core-4.0.18-1.fc34.noarch 4.2 MB/s | 34 kB 00:00 (13/134): dnf-4.4.0-3.fc34.noarch.rpm 22 MB/s | 445 kB 00:00 (14/134): dnf-data-4.4.0-3.fc34.noarch.rpm 3.4 MB/s | 46 kB 00:00 (15/134): elfutils-default-yama-scope-0.182-1.f 3.3 MB/s | 17 kB 00:00 (16/134): elfutils-libelf-0.182-1.fc34.aarch64. 22 MB/s | 195 kB 00:00 (17/134): elfutils-libs-0.182-1.fc34.aarch64.rp 26 MB/s | 270 kB 00:00 (18/134): fedora-release-34-0.9.noarch.rpm 2.3 MB/s | 12 kB 00:00 (19/134): expat-2.2.8-3.fc33.aarch64.rpm 5.8 MB/s | 98 kB 00:00 (20/134): fedora-gpg-keys-34-0.8.noarch.rpm 11 MB/s | 107 kB 00:00 (21/134): fedora-release-common-34-0.9.noarch.r 3.8 MB/s | 21 kB 00:00 (22/134): fedora-release-identity-basic-34-0.9. 2.4 MB/s | 13 kB 00:00 (23/134): fedora-repos-34-0.8.noarch.rpm 1.7 MB/s | 11 kB 00:00 (24/134): file-libs-5.39-3.fc34.aarch64.rpm 34 MB/s | 591 kB 00:00 (25/134): filesystem-3.14-4.fc34.aarch64.rpm 57 MB/s | 1.1 MB 00:00 (26/134): fedora-repos-rawhide-34-0.8.noarch.rp 446 kB/s | 10 kB 00:00 (27/134): gdbm-libs-1.18.1-5.fc33.aarch64.rpm 7.1 MB/s | 53 kB 00:00 (28/134): gawk-5.1.0-2.fc33.aarch64.rpm 12 MB/s | 986 kB 00:00 (29/134): glib2-2.67.0-2.fc34.aarch64.rpm 21 MB/s | 2.6 MB 00:00 (30/134): glibc-2.32.9000-14.fc34.aarch64.rpm 24 MB/s | 3.4 MB 00:00 (31/134): glibc-common-2.32.9000-14.fc34.aarch6 23 MB/s | 1.8 MB 00:00 (32/134): glibc-minimal-langpack-2.32.9000-14.f 3.6 MB/s | 95 kB 00:00 (33/134): gnutls-3.6.15-2.fc34.aarch64.rpm 44 MB/s | 889 kB 00:00 (34/134): gnupg2-2.2.23-1.fc34.aarch64.rpm 68 MB/s | 2.3 MB 00:00 (35/134): gpgme-1.14.0-2.fc33.aarch64.rpm 18 MB/s | 200 kB 00:00 (36/134): ima-evm-utils-1.3.2-1.fc34.aarch64.rp 10 MB/s | 61 kB 00:00 (37/134): grep-3.5-1.fc34.aarch64.rpm 27 MB/s | 258 kB 00:00 (38/134): json-c-0.14-7.fc33.aarch64.rpm 8.6 MB/s | 41 kB 00:00 (39/134): keyutils-libs-1.6-5.fc33.aarch64.rpm 6.0 MB/s | 31 kB 00:00 (40/134): libacl-2.2.53-9.fc34.aarch64.rpm 4.0 MB/s | 23 kB 00:00 (41/134): krb5-libs-1.18.2-29.fc34.aarch64.rpm 33 MB/s | 738 kB 00:00 (42/134): libarchive-3.4.3-3.fc33.aarch64.rpm 31 MB/s | 390 kB 00:00 (43/134): libassuan-2.5.3-4.fc33.aarch64.rpm 11 MB/s | 66 kB 00:00 (44/134): libattr-2.4.48-10.fc33.aarch64.rpm 2.4 MB/s | 18 kB 00:00 (45/134): libbrotli-1.0.9-3.fc34.aarch64.rpm 29 MB/s | 324 kB 00:00 (46/134): libcap-2.44-1.fc34.aarch64.rpm 4.7 MB/s | 60 kB 00:00 (47/134): libblkid-2.36-3.fc34.aarch64.rpm 3.7 MB/s | 103 kB 00:00 (48/134): libcap-ng-0.8-1.fc34.aarch64.rpm 5.3 MB/s | 28 kB 00:00 (49/134): libcom_err-1.45.6-4.fc33.aarch64.rpm 4.9 MB/s | 27 kB 00:00 (50/134): libcomps-0.1.15-5.fc33.aarch64.rpm 14 MB/s | 77 kB 00:00 (51/134): libcurl-7.73.0-2.fc34.aarch64.rpm 34 MB/s | 279 kB 00:00 (52/134): libdb-5.3.28-44.fc33.aarch64.rpm 24 MB/s | 741 kB 00:00 (53/134): libdnf-0.54.2-3.fc34.aarch64.rpm 20 MB/s | 562 kB 00:00 (54/134): gmp-6.2.0-5.fc34.aarch64.rpm 1.7 MB/s | 272 kB 00:00 (55/134): libgcc-10.2.1-7.fc34.aarch64.rpm 13 MB/s | 94 kB 00:00 (56/134): libffi-3.1-26.fc33.aarch64.rpm 2.5 MB/s | 32 kB 00:00 (57/134): libgomp-10.2.1-7.fc34.aarch64.rpm 27 MB/s | 258 kB 00:00 (58/134): libidn2-2.3.0-4.fc33.aarch64.rpm 12 MB/s | 104 kB 00:00 (59/134): libgcrypt-1.8.6-4.fc34.aarch64.rpm 14 MB/s | 417 kB 00:00 (60/134): libgpg-error-1.37-2.fc33.aarch64.rpm 9.9 MB/s | 204 kB 00:00 (61/134): libksba-1.4.0-1.fc34.aarch64.rpm 19 MB/s | 149 kB 00:00 (62/134): libmetalink-0.1.3-13.fc33.aarch64.rpm 4.6 MB/s | 30 kB 00:00 (63/134): libmodulemd-2.9.4-3.fc33.aarch64.rpm 20 MB/s | 176 kB 00:00 (64/134): libmount-2.36-3.fc34.aarch64.rpm 19 MB/s | 131 kB 00:00 (65/134): libnghttp2-1.41.0-3.fc33.aarch64.rpm 10 MB/s | 72 kB 00:00 (66/134): libnsl2-1.3.0-1.fc34.aarch64.rpm 8.1 MB/s | 57 kB 00:00 (67/134): libpsl-0.21.1-2.fc33.aarch64.rpm 9.0 MB/s | 61 kB 00:00 (68/134): librepo-1.12.1-1.fc34.aarch64.rpm 14 MB/s | 94 kB 00:00 (69/134): libreport-filesystem-2.14.0-12.fc34.n 2.4 MB/s | 14 kB 00:00 (70/134): libselinux-3.1-4.fc34.aarch64.rpm 9.8 MB/s | 84 kB 00:00 (71/134): libsepol-3.1-4.fc34.aarch64.rpm 23 MB/s | 279 kB 00:00 (72/134): libsemanage-3.1-4.fc34.aarch64.rpm 7.5 MB/s | 113 kB 00:00 (73/134): libsmartcols-2.36-3.fc34.aarch64.rpm 5.4 MB/s | 61 kB 00:00 (74/134): libsolv-0.7.15-1.fc34.aarch64.rpm 33 MB/s | 378 kB 00:00 (75/134): libsigsegv-2.11-11.fc33.aarch64.rpm 1.5 MB/s | 26 kB 00:00 (76/134): libssh-0.9.5-1.fc34.aarch64.rpm 28 MB/s | 209 kB 00:00 (77/134): libssh-config-0.9.5-1.fc34.noarch.rpm 950 kB/s | 11 kB 00:00 (78/134): libstdc++-10.2.1-7.fc34.aarch64.rpm 39 MB/s | 589 kB 00:00 (79/134): libtasn1-4.16.0-3.fc33.aarch64.rpm 5.9 MB/s | 74 kB 00:00 (80/134): libtirpc-1.2.6-2.rc4.fc33.aarch64.rpm 7.4 MB/s | 95 kB 00:00 (81/134): libusbx-1.0.23-2.fc33.aarch64.rpm 10 MB/s | 71 kB 00:00 (82/134): libuuid-2.36-3.fc34.aarch64.rpm 2.1 MB/s | 28 kB 00:00 (83/134): libverto-0.3.0-11.fc34.aarch64.rpm 1.4 MB/s | 21 kB 00:00 (84/134): libxml2-2.9.10-7.fc34.aarch64.rpm 48 MB/s | 729 kB 00:00 (85/134): libxcrypt-4.4.17-1.fc34.aarch64.rpm 6.4 MB/s | 127 kB 00:00 (86/134): libunistring-0.9.10-9.fc33.aarch64.rp 11 MB/s | 510 kB 00:00 (87/134): libyaml-0.2.5-3.fc33.aarch64.rpm 9.3 MB/s | 60 kB 00:00 (88/134): lua-libs-5.4.1-1.fc34.aarch64.rpm 12 MB/s | 213 kB 00:00 (89/134): lz4-libs-1.9.1-3.fc33.aarch64.rpm 3.5 MB/s | 57 kB 00:00 (90/134): libzstd-1.4.5-6.fc34.aarch64.rpm 12 MB/s | 294 kB 00:00 (91/134): ncurses-base-6.2-3.20200222.fc33.noar 7.8 MB/s | 60 kB 00:00 (92/134): mpfr-4.1.0-2.fc33.aarch64.rpm 17 MB/s | 244 kB 00:00 (93/134): ncurses-libs-6.2-3.20200222.fc33.aarc 26 MB/s | 322 kB 00:00 (94/134): nettle-3.6-3.fc33.aarch64.rpm 41 MB/s | 423 kB 00:00 (95/134): npth-1.6-5.fc33.aarch64.rpm 3.4 MB/s | 24 kB 00:00 (96/134): openldap-2.4.55-1.fc34.aarch64.rpm 26 MB/s | 307 kB 00:00 (97/134): p11-kit-0.23.21-2.fc34.aarch64.rpm 25 MB/s | 351 kB 00:00 (98/134): openssl-libs-1.1.1g-15.fc33.aarch64.r 58 MB/s | 1.4 MB 00:00 (99/134): p11-kit-trust-0.23.21-2.fc34.aarch64. 13 MB/s | 138 kB 00:00 (100/134): pcre-8.44-2.fc34.aarch64.rpm 24 MB/s | 182 kB 00:00 (101/134): pcre2-syntax-10.35-8.fc34.noarch.rpm 19 MB/s | 142 kB 00:00 (102/134): popt-1.18-2.fc33.aarch64.rpm 4.4 MB/s | 59 kB 00:00 (103/134): publicsuffix-list-dafsa-20190417-4.f 5.0 MB/s | 55 kB 00:00 (104/134): pcre2-10.35-8.fc34.aarch64.rpm 6.9 MB/s | 214 kB 00:00 (105/134): python-pip-wheel-20.2.4-1.fc34.noarc 59 MB/s | 1.3 MB 00:00 (106/134): python-setuptools-wheel-50.3.2-1.fc3 26 MB/s | 471 kB 00:00 (107/134): python3-3.9.0-1.fc34.aarch64.rpm 4.4 MB/s | 28 kB 00:00 (108/134): python3-distro-1.5.0-4.fc33.noarch.r 4.9 MB/s | 36 kB 00:00 (109/134): python3-dnf-4.4.0-3.fc34.noarch.rpm 29 MB/s | 410 kB 00:00 (110/134): python3-dateutil-2.8.1-2.fc33.noarch 15 MB/s | 289 kB 00:00 (111/134): python3-dnf-plugins-core-4.0.18-1.fc 20 MB/s | 191 kB 00:00 (112/134): python3-gpg-1.14.0-2.fc33.aarch64.rp 32 MB/s | 264 kB 00:00 (113/134): python3-hawkey-0.54.2-3.fc34.aarch64 13 MB/s | 105 kB 00:00 (114/134): python3-libcomps-0.1.15-5.fc33.aarch 6.0 MB/s | 51 kB 00:00 (115/134): python3-rpm-4.16.0-3.fc34.aarch64.rp 14 MB/s | 98 kB 00:00 (116/134): python3-libdnf-0.54.2-3.fc34.aarch64 26 MB/s | 726 kB 00:00 (117/134): python3-setuptools-50.3.2-1.fc34.noa 24 MB/s | 760 kB 00:00 (118/134): python3-six-1.15.0-2.fc33.noarch.rpm 2.2 MB/s | 36 kB 00:00 (119/134): rpm-4.16.0-3.fc34.aarch64.rpm 15 MB/s | 501 kB 00:00 (120/134): readline-8.0-5.fc33.aarch64.rpm 4.4 MB/s | 207 kB 00:00 (121/134): rpm-build-libs-4.16.0-3.fc34.aarch64 3.7 MB/s | 93 kB 00:00 (122/134): python3-libs-3.9.0-1.fc34.aarch64.rp 58 MB/s | 7.4 MB 00:00 (123/134): rpm-libs-4.16.0-3.fc34.aarch64.rpm 9.5 MB/s | 319 kB 00:00 (124/134): rpm-sign-libs-4.16.0-3.fc34.aarch64. 1.4 MB/s | 25 kB 00:00 (125/134): sed-4.8-6.fc34.aarch64.rpm 36 MB/s | 296 kB 00:00 (126/134): shadow-utils-4.8.1-5.fc34.aarch64.rp 43 MB/s | 1.2 MB 00:00 (127/134): sqlite-libs-3.33.0-2.fc34.aarch64.rp 27 MB/s | 623 kB 00:00 (128/134): setup-2.13.7-2.fc33.noarch.rpm 4.2 MB/s | 142 kB 00:00 (129/134): tpm2-tss-3.0.1-1.fc34.aarch64.rpm 37 MB/s | 530 kB 00:00 (130/134): tzdata-2020d-1.fc34.noarch.rpm 30 MB/s | 430 kB 00:00 (131/134): zchunk-libs-1.1.5-3.fc33.aarch64.rpm 7.6 MB/s | 48 kB 00:00 (132/134): xz-libs-5.2.5-3.fc33.aarch64.rpm 10 MB/s | 90 kB 00:00 (133/134): systemd-libs-246.6-3.fc34.aarch64.rp 19 MB/s | 563 kB 00:00 (134/134): zlib-1.2.11-22.fc33.aarch64.rpm 6.1 MB/s | 96 kB 00:00 -------------------------------------------------------------------------------- Total 38 MB/s | 52 MB 00:01 warning: /var/lib/mock/fedora-rawhide-aarch64-bootstrap-1605003826.552645/root/var/cache/dnf/fedora-135a69fc59e3201d/packages/alternatives-1.14-3.fc33.aarch64.rpm: Header V4 RSA/SHA256 Signature, key ID 45719a39: NOKEY fedora 1.6 MB/s | 1.6 kB 00:00 Importing GPG key 0x45719A39: Userid : "Fedora (34) " Fingerprint: 8C5B A699 0BDB 26E1 9F2A 1A80 1161 AE69 4571 9A39 From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-34-primary Key imported successfully fedora 1.6 MB/s | 1.6 kB 00:00 GPG key at file:///usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-34-primary (0x45719A39) is already installed fedora 1.6 MB/s | 1.6 kB 00:00 Importing GPG key 0x9570FF31: Userid : "Fedora (33) " Fingerprint: 963A 2BEB 0200 9608 FE67 EA42 49FD 7749 9570 FF31 From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-33-primary Key imported successfully Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Running scriptlet: filesystem-3.14-4.fc34.aarch64 1/1 Preparing : 1/1 Installing : libgcc-10.2.1-7.fc34.aarch64 1/134 Running scriptlet: libgcc-10.2.1-7.fc34.aarch64 1/134 Installing : crypto-policies-20200918-1.git85dccc5.fc34.noarc 2/134 Running scriptlet: crypto-policies-20200918-1.git85dccc5.fc34.noarc 2/134 Installing : tzdata-2020d-1.fc34.noarch 3/134 Installing : fedora-release-identity-basic-34-0.9.noarch 4/134 Installing : python-setuptools-wheel-50.3.2-1.fc34.noarch 5/134 Installing : publicsuffix-list-dafsa-20190417-4.fc33.noarch 6/134 Installing : pcre2-syntax-10.35-8.fc34.noarch 7/134 Installing : ncurses-base-6.2-3.20200222.fc33.noarch 8/134 Installing : libssh-config-0.9.5-1.fc34.noarch 9/134 Installing : libreport-filesystem-2.14.0-12.fc34.noarch 10/134 Installing : dnf-data-4.4.0-3.fc34.noarch 11/134 warning: /etc/dnf/dnf.conf created as /etc/dnf/dnf.conf.rpmnew Installing : fedora-gpg-keys-34-0.8.noarch 12/134 Installing : fedora-release-34-0.9.noarch 13/134 Installing : fedora-release-common-34-0.9.noarch 14/134 Installing : fedora-repos-rawhide-34-0.8.noarch 15/134 Installing : fedora-repos-34-0.8.noarch 16/134 Installing : setup-2.13.7-2.fc33.noarch 17/134 Running scriptlet: setup-2.13.7-2.fc33.noarch 17/134 Installing : filesystem-3.14-4.fc34.aarch64 18/134 Installing : basesystem-11-10.fc33.noarch 19/134 Installing : glibc-minimal-langpack-2.32.9000-14.fc34.aarch64 20/134 Installing : glibc-common-2.32.9000-14.fc34.aarch64 21/134 Running scriptlet: glibc-2.32.9000-14.fc34.aarch64 22/134 Installing : glibc-2.32.9000-14.fc34.aarch64 22/134 Running scriptlet: glibc-2.32.9000-14.fc34.aarch64 22/134 Installing : ncurses-libs-6.2-3.20200222.fc33.aarch64 23/134 Installing : bash-5.0.17-2.fc33.aarch64 24/134 Running scriptlet: bash-5.0.17-2.fc33.aarch64 24/134 Installing : zlib-1.2.11-22.fc33.aarch64 25/134 Installing : bzip2-libs-1.0.8-4.fc33.aarch64 26/134 Installing : xz-libs-5.2.5-3.fc33.aarch64 27/134 Installing : libzstd-1.4.5-6.fc34.aarch64 28/134 Installing : sqlite-libs-3.33.0-2.fc34.aarch64 29/134 Installing : gmp-1:6.2.0-5.fc34.aarch64 30/134 Installing : libcap-2.44-1.fc34.aarch64 31/134 Installing : libdb-5.3.28-44.fc33.aarch64 32/134 Installing : libgpg-error-1.37-2.fc33.aarch64 33/134 Installing : popt-1.18-2.fc33.aarch64 34/134 Installing : libxml2-2.9.10-7.fc34.aarch64 35/134 Installing : libcom_err-1.45.6-4.fc33.aarch64 36/134 Installing : lua-libs-5.4.1-1.fc34.aarch64 37/134 Installing : elfutils-libelf-0.182-1.fc34.aarch64 38/134 Installing : file-libs-5.39-3.fc34.aarch64 39/134 Installing : readline-8.0-5.fc33.aarch64 40/134 Installing : expat-2.2.8-3.fc33.aarch64 41/134 Installing : libattr-2.4.48-10.fc33.aarch64 42/134 Installing : libacl-2.2.53-9.fc34.aarch64 43/134 Installing : libffi-3.1-26.fc33.aarch64 44/134 Installing : p11-kit-0.23.21-2.fc34.aarch64 45/134 Installing : libstdc++-10.2.1-7.fc34.aarch64 46/134 Installing : libunistring-0.9.10-9.fc33.aarch64 47/134 Installing : libidn2-2.3.0-4.fc33.aarch64 48/134 Installing : libuuid-2.36-3.fc34.aarch64 49/134 Installing : libxcrypt-4.4.17-1.fc34.aarch64 50/134 Installing : libassuan-2.5.3-4.fc33.aarch64 51/134 Installing : libgcrypt-1.8.6-4.fc34.aarch64 52/134 Installing : json-c-0.14-7.fc33.aarch64 53/134 Installing : keyutils-libs-1.6-5.fc33.aarch64 54/134 Installing : libsepol-3.1-4.fc34.aarch64 55/134 Installing : libsmartcols-2.36-3.fc34.aarch64 56/134 Installing : libtasn1-4.16.0-3.fc33.aarch64 57/134 Installing : lz4-libs-1.9.1-3.fc33.aarch64 58/134 Installing : pcre-8.44-2.fc34.aarch64 59/134 Installing : grep-3.5-1.fc34.aarch64 60/134 Installing : libpsl-0.21.1-2.fc33.aarch64 61/134 Installing : libcomps-0.1.15-5.fc33.aarch64 62/134 Installing : libmetalink-0.1.3-13.fc33.aarch64 63/134 Installing : libksba-1.4.0-1.fc34.aarch64 64/134 Installing : mpfr-4.1.0-2.fc33.aarch64 65/134 Installing : nettle-3.6-3.fc33.aarch64 66/134 Installing : elfutils-default-yama-scope-0.182-1.fc34.noarch 67/134 Running scriptlet: elfutils-default-yama-scope-0.182-1.fc34.noarch 67/134 Installing : elfutils-libs-0.182-1.fc34.aarch64 68/134 Installing : alternatives-1.14-3.fc33.aarch64 69/134 Installing : p11-kit-trust-0.23.21-2.fc34.aarch64 70/134 Running scriptlet: p11-kit-trust-0.23.21-2.fc34.aarch64 70/134 Installing : gnutls-3.6.15-2.fc34.aarch64 71/134 Installing : gdbm-libs-1:1.18.1-5.fc33.aarch64 72/134 Installing : libbrotli-1.0.9-3.fc34.aarch64 73/134 Installing : libcap-ng-0.8-1.fc34.aarch64 74/134 Installing : audit-libs-3.0-0.21.20191104git1c2f876.fc33.aarc 75/134 Installing : libgomp-10.2.1-7.fc34.aarch64 76/134 Installing : libnghttp2-1.41.0-3.fc33.aarch64 77/134 Installing : libsigsegv-2.11-11.fc33.aarch64 78/134 Installing : gawk-5.1.0-2.fc33.aarch64 79/134 Installing : libverto-0.3.0-11.fc34.aarch64 80/134 Installing : libyaml-0.2.5-3.fc33.aarch64 81/134 Installing : npth-1.6-5.fc33.aarch64 82/134 Installing : pcre2-10.35-8.fc34.aarch64 83/134 Installing : libselinux-3.1-4.fc34.aarch64 84/134 Installing : sed-4.8-6.fc34.aarch64 85/134 Installing : libsemanage-3.1-4.fc34.aarch64 86/134 Installing : shadow-utils-2:4.8.1-5.fc34.aarch64 87/134 Installing : coreutils-common-8.32-14.fc34.aarch64 88/134 Installing : openssl-libs-1:1.1.1g-15.fc33.aarch64 89/134 Installing : coreutils-8.32-14.fc34.aarch64 90/134 Running scriptlet: ca-certificates-2020.2.41-4.fc33.noarch 91/134 Installing : ca-certificates-2020.2.41-4.fc33.noarch 91/134 Running scriptlet: ca-certificates-2020.2.41-4.fc33.noarch 91/134 Installing : krb5-libs-1.18.2-29.fc34.aarch64 92/134 Installing : libtirpc-1.2.6-2.rc4.fc33.aarch64 93/134 Installing : zchunk-libs-1.1.5-3.fc33.aarch64 94/134 Installing : libnsl2-1.3.0-1.fc34.aarch64 95/134 Installing : cyrus-sasl-lib-2.1.27-6.fc33.aarch64 96/134 Installing : openldap-2.4.55-1.fc34.aarch64 97/134 Installing : libssh-0.9.5-1.fc34.aarch64 98/134 Installing : libcurl-7.73.0-2.fc34.aarch64 99/134 Installing : curl-7.73.0-2.fc34.aarch64 100/134 Running scriptlet: tpm2-tss-3.0.1-1.fc34.aarch64 101/134 Installing : tpm2-tss-3.0.1-1.fc34.aarch64 101/134 Installing : ima-evm-utils-1.3.2-1.fc34.aarch64 102/134 Installing : python-pip-wheel-20.2.4-1.fc34.noarch 103/134 Installing : python3-setuptools-50.3.2-1.fc34.noarch 104/134 Installing : python3-3.9.0-1.fc34.aarch64 105/134 Installing : python3-libs-3.9.0-1.fc34.aarch64 106/134 Installing : python3-libcomps-0.1.15-5.fc33.aarch64 107/134 Installing : python3-distro-1.5.0-4.fc33.noarch 108/134 Installing : python3-six-1.15.0-2.fc33.noarch 109/134 Installing : python3-dateutil-1:2.8.1-2.fc33.noarch 110/134 Installing : libblkid-2.36-3.fc34.aarch64 111/134 Running scriptlet: libblkid-2.36-3.fc34.aarch64 111/134 Installing : libmount-2.36-3.fc34.aarch64 112/134 Installing : glib2-2.67.0-2.fc34.aarch64 113/134 Installing : systemd-libs-246.6-3.fc34.aarch64 114/134 Running scriptlet: systemd-libs-246.6-3.fc34.aarch64 114/134 Installing : libusbx-1.0.23-2.fc33.aarch64 115/134 Installing : gnupg2-2.2.23-1.fc34.aarch64 116/134 Installing : gpgme-1.14.0-2.fc33.aarch64 117/134 Installing : librepo-1.12.1-1.fc34.aarch64 118/134 Installing : python3-gpg-1.14.0-2.fc33.aarch64 119/134 Installing : libarchive-3.4.3-3.fc33.aarch64 120/134 Installing : rpm-4.16.0-3.fc34.aarch64 121/134 Installing : rpm-libs-4.16.0-3.fc34.aarch64 122/134 Installing : libmodulemd-2.9.4-3.fc33.aarch64 123/134 Installing : libsolv-0.7.15-1.fc34.aarch64 124/134 Installing : libdnf-0.54.2-3.fc34.aarch64 125/134 Installing : python3-libdnf-0.54.2-3.fc34.aarch64 126/134 Installing : python3-hawkey-0.54.2-3.fc34.aarch64 127/134 Installing : rpm-build-libs-4.16.0-3.fc34.aarch64 128/134 Installing : rpm-sign-libs-4.16.0-3.fc34.aarch64 129/134 Installing : python3-rpm-4.16.0-3.fc34.aarch64 130/134 Installing : python3-dnf-4.4.0-3.fc34.noarch 131/134 Installing : python3-dnf-plugins-core-4.0.18-1.fc34.noarch 132/134 Installing : dnf-plugins-core-4.0.18-1.fc34.noarch 133/134 Installing : dnf-4.4.0-3.fc34.noarch 134/134 Running scriptlet: dnf-4.4.0-3.fc34.noarch 134/134 Running scriptlet: filesystem-3.14-4.fc34.aarch64 134/134 Running scriptlet: ca-certificates-2020.2.41-4.fc33.noarch 134/134 Running scriptlet: rpm-4.16.0-3.fc34.aarch64 134/134 Running scriptlet: dnf-4.4.0-3.fc34.noarch 134/134 Verifying : alternatives-1.14-3.fc33.aarch64 1/134 Verifying : audit-libs-3.0-0.21.20191104git1c2f876.fc33.aarc 2/134 Verifying : basesystem-11-10.fc33.noarch 3/134 Verifying : bash-5.0.17-2.fc33.aarch64 4/134 Verifying : bzip2-libs-1.0.8-4.fc33.aarch64 5/134 Verifying : ca-certificates-2020.2.41-4.fc33.noarch 6/134 Verifying : coreutils-8.32-14.fc34.aarch64 7/134 Verifying : coreutils-common-8.32-14.fc34.aarch64 8/134 Verifying : crypto-policies-20200918-1.git85dccc5.fc34.noarc 9/134 Verifying : curl-7.73.0-2.fc34.aarch64 10/134 Verifying : cyrus-sasl-lib-2.1.27-6.fc33.aarch64 11/134 Verifying : dnf-4.4.0-3.fc34.noarch 12/134 Verifying : dnf-data-4.4.0-3.fc34.noarch 13/134 Verifying : dnf-plugins-core-4.0.18-1.fc34.noarch 14/134 Verifying : elfutils-default-yama-scope-0.182-1.fc34.noarch 15/134 Verifying : elfutils-libelf-0.182-1.fc34.aarch64 16/134 Verifying : elfutils-libs-0.182-1.fc34.aarch64 17/134 Verifying : expat-2.2.8-3.fc33.aarch64 18/134 Verifying : fedora-gpg-keys-34-0.8.noarch 19/134 Verifying : fedora-release-34-0.9.noarch 20/134 Verifying : fedora-release-common-34-0.9.noarch 21/134 Verifying : fedora-release-identity-basic-34-0.9.noarch 22/134 Verifying : fedora-repos-34-0.8.noarch 23/134 Verifying : fedora-repos-rawhide-34-0.8.noarch 24/134 Verifying : file-libs-5.39-3.fc34.aarch64 25/134 Verifying : filesystem-3.14-4.fc34.aarch64 26/134 Verifying : gawk-5.1.0-2.fc33.aarch64 27/134 Verifying : gdbm-libs-1:1.18.1-5.fc33.aarch64 28/134 Verifying : glib2-2.67.0-2.fc34.aarch64 29/134 Verifying : glibc-2.32.9000-14.fc34.aarch64 30/134 Verifying : glibc-common-2.32.9000-14.fc34.aarch64 31/134 Verifying : glibc-minimal-langpack-2.32.9000-14.fc34.aarch64 32/134 Verifying : gmp-1:6.2.0-5.fc34.aarch64 33/134 Verifying : gnupg2-2.2.23-1.fc34.aarch64 34/134 Verifying : gnutls-3.6.15-2.fc34.aarch64 35/134 Verifying : gpgme-1.14.0-2.fc33.aarch64 36/134 Verifying : grep-3.5-1.fc34.aarch64 37/134 Verifying : ima-evm-utils-1.3.2-1.fc34.aarch64 38/134 Verifying : json-c-0.14-7.fc33.aarch64 39/134 Verifying : keyutils-libs-1.6-5.fc33.aarch64 40/134 Verifying : krb5-libs-1.18.2-29.fc34.aarch64 41/134 Verifying : libacl-2.2.53-9.fc34.aarch64 42/134 Verifying : libarchive-3.4.3-3.fc33.aarch64 43/134 Verifying : libassuan-2.5.3-4.fc33.aarch64 44/134 Verifying : libattr-2.4.48-10.fc33.aarch64 45/134 Verifying : libblkid-2.36-3.fc34.aarch64 46/134 Verifying : libbrotli-1.0.9-3.fc34.aarch64 47/134 Verifying : libcap-2.44-1.fc34.aarch64 48/134 Verifying : libcap-ng-0.8-1.fc34.aarch64 49/134 Verifying : libcom_err-1.45.6-4.fc33.aarch64 50/134 Verifying : libcomps-0.1.15-5.fc33.aarch64 51/134 Verifying : libcurl-7.73.0-2.fc34.aarch64 52/134 Verifying : libdb-5.3.28-44.fc33.aarch64 53/134 Verifying : libdnf-0.54.2-3.fc34.aarch64 54/134 Verifying : libffi-3.1-26.fc33.aarch64 55/134 Verifying : libgcc-10.2.1-7.fc34.aarch64 56/134 Verifying : libgcrypt-1.8.6-4.fc34.aarch64 57/134 Verifying : libgomp-10.2.1-7.fc34.aarch64 58/134 Verifying : libgpg-error-1.37-2.fc33.aarch64 59/134 Verifying : libidn2-2.3.0-4.fc33.aarch64 60/134 Verifying : libksba-1.4.0-1.fc34.aarch64 61/134 Verifying : libmetalink-0.1.3-13.fc33.aarch64 62/134 Verifying : libmodulemd-2.9.4-3.fc33.aarch64 63/134 Verifying : libmount-2.36-3.fc34.aarch64 64/134 Verifying : libnghttp2-1.41.0-3.fc33.aarch64 65/134 Verifying : libnsl2-1.3.0-1.fc34.aarch64 66/134 Verifying : libpsl-0.21.1-2.fc33.aarch64 67/134 Verifying : librepo-1.12.1-1.fc34.aarch64 68/134 Verifying : libreport-filesystem-2.14.0-12.fc34.noarch 69/134 Verifying : libselinux-3.1-4.fc34.aarch64 70/134 Verifying : libsemanage-3.1-4.fc34.aarch64 71/134 Verifying : libsepol-3.1-4.fc34.aarch64 72/134 Verifying : libsigsegv-2.11-11.fc33.aarch64 73/134 Verifying : libsmartcols-2.36-3.fc34.aarch64 74/134 Verifying : libsolv-0.7.15-1.fc34.aarch64 75/134 Verifying : libssh-0.9.5-1.fc34.aarch64 76/134 Verifying : libssh-config-0.9.5-1.fc34.noarch 77/134 Verifying : libstdc++-10.2.1-7.fc34.aarch64 78/134 Verifying : libtasn1-4.16.0-3.fc33.aarch64 79/134 Verifying : libtirpc-1.2.6-2.rc4.fc33.aarch64 80/134 Verifying : libunistring-0.9.10-9.fc33.aarch64 81/134 Verifying : libusbx-1.0.23-2.fc33.aarch64 82/134 Verifying : libuuid-2.36-3.fc34.aarch64 83/134 Verifying : libverto-0.3.0-11.fc34.aarch64 84/134 Verifying : libxcrypt-4.4.17-1.fc34.aarch64 85/134 Verifying : libxml2-2.9.10-7.fc34.aarch64 86/134 Verifying : libyaml-0.2.5-3.fc33.aarch64 87/134 Verifying : libzstd-1.4.5-6.fc34.aarch64 88/134 Verifying : lua-libs-5.4.1-1.fc34.aarch64 89/134 Verifying : lz4-libs-1.9.1-3.fc33.aarch64 90/134 Verifying : mpfr-4.1.0-2.fc33.aarch64 91/134 Verifying : ncurses-base-6.2-3.20200222.fc33.noarch 92/134 Verifying : ncurses-libs-6.2-3.20200222.fc33.aarch64 93/134 Verifying : nettle-3.6-3.fc33.aarch64 94/134 Verifying : npth-1.6-5.fc33.aarch64 95/134 Verifying : openldap-2.4.55-1.fc34.aarch64 96/134 Verifying : openssl-libs-1:1.1.1g-15.fc33.aarch64 97/134 Verifying : p11-kit-0.23.21-2.fc34.aarch64 98/134 Verifying : p11-kit-trust-0.23.21-2.fc34.aarch64 99/134 Verifying : pcre-8.44-2.fc34.aarch64 100/134 Verifying : pcre2-10.35-8.fc34.aarch64 101/134 Verifying : pcre2-syntax-10.35-8.fc34.noarch 102/134 Verifying : popt-1.18-2.fc33.aarch64 103/134 Verifying : publicsuffix-list-dafsa-20190417-4.fc33.noarch 104/134 Verifying : python-pip-wheel-20.2.4-1.fc34.noarch 105/134 Verifying : python-setuptools-wheel-50.3.2-1.fc34.noarch 106/134 Verifying : python3-3.9.0-1.fc34.aarch64 107/134 Verifying : python3-dateutil-1:2.8.1-2.fc33.noarch 108/134 Verifying : python3-distro-1.5.0-4.fc33.noarch 109/134 Verifying : python3-dnf-4.4.0-3.fc34.noarch 110/134 Verifying : python3-dnf-plugins-core-4.0.18-1.fc34.noarch 111/134 Verifying : python3-gpg-1.14.0-2.fc33.aarch64 112/134 Verifying : python3-hawkey-0.54.2-3.fc34.aarch64 113/134 Verifying : python3-libcomps-0.1.15-5.fc33.aarch64 114/134 Verifying : python3-libdnf-0.54.2-3.fc34.aarch64 115/134 Verifying : python3-libs-3.9.0-1.fc34.aarch64 116/134 Verifying : python3-rpm-4.16.0-3.fc34.aarch64 117/134 Verifying : python3-setuptools-50.3.2-1.fc34.noarch 118/134 Verifying : python3-six-1.15.0-2.fc33.noarch 119/134 Verifying : readline-8.0-5.fc33.aarch64 120/134 Verifying : rpm-4.16.0-3.fc34.aarch64 121/134 Verifying : rpm-build-libs-4.16.0-3.fc34.aarch64 122/134 Verifying : rpm-libs-4.16.0-3.fc34.aarch64 123/134 Verifying : rpm-sign-libs-4.16.0-3.fc34.aarch64 124/134 Verifying : sed-4.8-6.fc34.aarch64 125/134 Verifying : setup-2.13.7-2.fc33.noarch 126/134 Verifying : shadow-utils-2:4.8.1-5.fc34.aarch64 127/134 Verifying : sqlite-libs-3.33.0-2.fc34.aarch64 128/134 Verifying : systemd-libs-246.6-3.fc34.aarch64 129/134 Verifying : tpm2-tss-3.0.1-1.fc34.aarch64 130/134 Verifying : tzdata-2020d-1.fc34.noarch 131/134 Verifying : xz-libs-5.2.5-3.fc33.aarch64 132/134 Verifying : zchunk-libs-1.1.5-3.fc33.aarch64 133/134 Verifying : zlib-1.2.11-22.fc33.aarch64 134/134 Installed: alternatives-1.14-3.fc33.aarch64 audit-libs-3.0-0.21.20191104git1c2f876.fc33.aarch64 basesystem-11-10.fc33.noarch bash-5.0.17-2.fc33.aarch64 bzip2-libs-1.0.8-4.fc33.aarch64 ca-certificates-2020.2.41-4.fc33.noarch coreutils-8.32-14.fc34.aarch64 coreutils-common-8.32-14.fc34.aarch64 crypto-policies-20200918-1.git85dccc5.fc34.noarch curl-7.73.0-2.fc34.aarch64 cyrus-sasl-lib-2.1.27-6.fc33.aarch64 dnf-4.4.0-3.fc34.noarch dnf-data-4.4.0-3.fc34.noarch dnf-plugins-core-4.0.18-1.fc34.noarch elfutils-default-yama-scope-0.182-1.fc34.noarch elfutils-libelf-0.182-1.fc34.aarch64 elfutils-libs-0.182-1.fc34.aarch64 expat-2.2.8-3.fc33.aarch64 fedora-gpg-keys-34-0.8.noarch fedora-release-34-0.9.noarch fedora-release-common-34-0.9.noarch fedora-release-identity-basic-34-0.9.noarch fedora-repos-34-0.8.noarch fedora-repos-rawhide-34-0.8.noarch file-libs-5.39-3.fc34.aarch64 filesystem-3.14-4.fc34.aarch64 gawk-5.1.0-2.fc33.aarch64 gdbm-libs-1:1.18.1-5.fc33.aarch64 glib2-2.67.0-2.fc34.aarch64 glibc-2.32.9000-14.fc34.aarch64 glibc-common-2.32.9000-14.fc34.aarch64 glibc-minimal-langpack-2.32.9000-14.fc34.aarch64 gmp-1:6.2.0-5.fc34.aarch64 gnupg2-2.2.23-1.fc34.aarch64 gnutls-3.6.15-2.fc34.aarch64 gpgme-1.14.0-2.fc33.aarch64 grep-3.5-1.fc34.aarch64 ima-evm-utils-1.3.2-1.fc34.aarch64 json-c-0.14-7.fc33.aarch64 keyutils-libs-1.6-5.fc33.aarch64 krb5-libs-1.18.2-29.fc34.aarch64 libacl-2.2.53-9.fc34.aarch64 libarchive-3.4.3-3.fc33.aarch64 libassuan-2.5.3-4.fc33.aarch64 libattr-2.4.48-10.fc33.aarch64 libblkid-2.36-3.fc34.aarch64 libbrotli-1.0.9-3.fc34.aarch64 libcap-2.44-1.fc34.aarch64 libcap-ng-0.8-1.fc34.aarch64 libcom_err-1.45.6-4.fc33.aarch64 libcomps-0.1.15-5.fc33.aarch64 libcurl-7.73.0-2.fc34.aarch64 libdb-5.3.28-44.fc33.aarch64 libdnf-0.54.2-3.fc34.aarch64 libffi-3.1-26.fc33.aarch64 libgcc-10.2.1-7.fc34.aarch64 libgcrypt-1.8.6-4.fc34.aarch64 libgomp-10.2.1-7.fc34.aarch64 libgpg-error-1.37-2.fc33.aarch64 libidn2-2.3.0-4.fc33.aarch64 libksba-1.4.0-1.fc34.aarch64 libmetalink-0.1.3-13.fc33.aarch64 libmodulemd-2.9.4-3.fc33.aarch64 libmount-2.36-3.fc34.aarch64 libnghttp2-1.41.0-3.fc33.aarch64 libnsl2-1.3.0-1.fc34.aarch64 libpsl-0.21.1-2.fc33.aarch64 librepo-1.12.1-1.fc34.aarch64 libreport-filesystem-2.14.0-12.fc34.noarch libselinux-3.1-4.fc34.aarch64 libsemanage-3.1-4.fc34.aarch64 libsepol-3.1-4.fc34.aarch64 libsigsegv-2.11-11.fc33.aarch64 libsmartcols-2.36-3.fc34.aarch64 libsolv-0.7.15-1.fc34.aarch64 libssh-0.9.5-1.fc34.aarch64 libssh-config-0.9.5-1.fc34.noarch libstdc++-10.2.1-7.fc34.aarch64 libtasn1-4.16.0-3.fc33.aarch64 libtirpc-1.2.6-2.rc4.fc33.aarch64 libunistring-0.9.10-9.fc33.aarch64 libusbx-1.0.23-2.fc33.aarch64 libuuid-2.36-3.fc34.aarch64 libverto-0.3.0-11.fc34.aarch64 libxcrypt-4.4.17-1.fc34.aarch64 libxml2-2.9.10-7.fc34.aarch64 libyaml-0.2.5-3.fc33.aarch64 libzstd-1.4.5-6.fc34.aarch64 lua-libs-5.4.1-1.fc34.aarch64 lz4-libs-1.9.1-3.fc33.aarch64 mpfr-4.1.0-2.fc33.aarch64 ncurses-base-6.2-3.20200222.fc33.noarch ncurses-libs-6.2-3.20200222.fc33.aarch64 nettle-3.6-3.fc33.aarch64 npth-1.6-5.fc33.aarch64 openldap-2.4.55-1.fc34.aarch64 openssl-libs-1:1.1.1g-15.fc33.aarch64 p11-kit-0.23.21-2.fc34.aarch64 p11-kit-trust-0.23.21-2.fc34.aarch64 pcre-8.44-2.fc34.aarch64 pcre2-10.35-8.fc34.aarch64 pcre2-syntax-10.35-8.fc34.noarch popt-1.18-2.fc33.aarch64 publicsuffix-list-dafsa-20190417-4.fc33.noarch python-pip-wheel-20.2.4-1.fc34.noarch python-setuptools-wheel-50.3.2-1.fc34.noarch python3-3.9.0-1.fc34.aarch64 python3-dateutil-1:2.8.1-2.fc33.noarch python3-distro-1.5.0-4.fc33.noarch python3-dnf-4.4.0-3.fc34.noarch python3-dnf-plugins-core-4.0.18-1.fc34.noarch python3-gpg-1.14.0-2.fc33.aarch64 python3-hawkey-0.54.2-3.fc34.aarch64 python3-libcomps-0.1.15-5.fc33.aarch64 python3-libdnf-0.54.2-3.fc34.aarch64 python3-libs-3.9.0-1.fc34.aarch64 python3-rpm-4.16.0-3.fc34.aarch64 python3-setuptools-50.3.2-1.fc34.noarch python3-six-1.15.0-2.fc33.noarch readline-8.0-5.fc33.aarch64 rpm-4.16.0-3.fc34.aarch64 rpm-build-libs-4.16.0-3.fc34.aarch64 rpm-libs-4.16.0-3.fc34.aarch64 rpm-sign-libs-4.16.0-3.fc34.aarch64 sed-4.8-6.fc34.aarch64 setup-2.13.7-2.fc33.noarch shadow-utils-2:4.8.1-5.fc34.aarch64 sqlite-libs-3.33.0-2.fc34.aarch64 systemd-libs-246.6-3.fc34.aarch64 tpm2-tss-3.0.1-1.fc34.aarch64 tzdata-2020d-1.fc34.noarch xz-libs-5.2.5-3.fc33.aarch64 zchunk-libs-1.1.5-3.fc33.aarch64 zlib-1.2.11-22.fc33.aarch64 Complete! Finish(bootstrap): dnf install Start(bootstrap): creating root cache Finish(bootstrap): creating root cache Finish(bootstrap): chroot init Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-aarch64-1605003826.552645/root. INFO: calling preinit hooks INFO: enabled root cache INFO: enabled package manager cache Start: cleaning package manager metadata Finish: cleaning package manager metadata INFO: enabled HW Info plugin Mock Version: 2.6 INFO: Mock Version: 2.6 Start: dnf install No matches found for the following disable plugin patterns: local, spacewalk Copr repository 385 kB/s | 43 kB 00:00 fedora 18 MB/s | 69 MB 00:03 Dependencies resolved. ======================================================================================== Package Arch Version Repo Size ======================================================================================== Installing group/module packages: [1mbash [m aarch64 5.0.17-2.fc33 fedora 1.6 M [1mbzip2 [m aarch64 1.0.8-4.fc33 fedora 51 k [1mcoreutils [m aarch64 8.32-14.fc34 fedora 1.1 M [1mcpio [m aarch64 2.13-8.fc33 fedora 271 k [1mdiffutils [m aarch64 3.7-7.fc34 fedora 386 k [1mfedora-release-common [m noarch 34-0.9 fedora 21 k [1mfindutils [m aarch64 1:4.7.0-7.fc33 fedora 539 k [1mgawk [m aarch64 5.1.0-2.fc33 fedora 986 k [1mglibc-minimal-langpack [m aarch64 2.32.9000-14.fc34 fedora 95 k [1mgrep [m aarch64 3.5-1.fc34 fedora 258 k [1mgzip [m aarch64 1.10-3.fc33 fedora 150 k [1minfo [m aarch64 6.7-8.fc33 fedora 225 k [1mmake [m aarch64 1:4.3-2.fc33 fedora 537 k [1mpatch [m aarch64 2.7.6-13.fc33 fedora 126 k [1mredhat-rpm-config [m noarch 177-1.fc34 fedora 65 k [1mrpm-build [m aarch64 4.16.0-3.fc34 fedora 94 k [1msed [m aarch64 4.8-6.fc34 fedora 296 k [1mshadow-utils [m aarch64 2:4.8.1-5.fc34 fedora 1.2 M [1mtar [m aarch64 2:1.32-6.fc33 fedora 878 k [1munzip [m aarch64 6.0-49.fc33 fedora 181 k [1mutil-linux [m aarch64 2.36-3.fc34 fedora 2.6 M [1mwhich [m aarch64 2.21-20.fc33 fedora 41 k [1mxz [m aarch64 5.2.5-3.fc33 fedora 217 k Installing dependencies: [1malternatives [m aarch64 1.14-3.fc33 fedora 35 k [1maudit-libs [m aarch64 3.0-0.21.20191104git1c2f876.fc33 fedora 112 k [1mbasesystem [m noarch 11-10.fc33 fedora 6.8 k [1mbinutils [m aarch64 2.35.1-13.fc34 fedora 5.7 M [1mbinutils-gold [m aarch64 2.35.1-13.fc34 fedora 911 k [1mbzip2-libs [m aarch64 1.0.8-4.fc33 fedora 42 k [1mca-certificates [m noarch 2020.2.41-4.fc33 fedora 352 k [1mcoreutils-common [m aarch64 8.32-14.fc34 fedora 2.0 M [1mcracklib [m aarch64 2.9.6-24.fc33 fedora 82 k [1mcrypto-policies [m noarch 20200918-1.git85dccc5.fc34 fedora 57 k [1mcurl [m aarch64 7.73.0-2.fc34 fedora 296 k [1mcyrus-sasl-lib [m aarch64 2.1.27-6.fc33 fedora 104 k [1mdwz [m aarch64 0.13-4.fc33 fedora 105 k [1med [m aarch64 1.14.2-9.fc33 fedora 74 k [1mefi-srpm-macros [m noarch 4-5.fc33 fedora 21 k [1melfutils [m aarch64 0.182-1.fc34 fedora 527 k [1melfutils-debuginfod-client [m aarch64 0.182-1.fc34 fedora 32 k [1melfutils-default-yama-scope [m noarch 0.182-1.fc34 fedora 17 k [1melfutils-libelf [m aarch64 0.182-1.fc34 fedora 195 k [1melfutils-libs [m aarch64 0.182-1.fc34 fedora 270 k [1mexpat [m aarch64 2.2.8-3.fc33 fedora 98 k [1mfedora-gpg-keys [m noarch 34-0.8 fedora 107 k [1mfedora-release [m noarch 34-0.9 fedora 12 k [1mfedora-release-identity-basic [m noarch 34-0.9 fedora 13 k [1mfedora-repos [m noarch 34-0.8 fedora 11 k [1mfedora-repos-rawhide [m noarch 34-0.8 fedora 10 k [1mfile [m aarch64 5.39-3.fc34 fedora 52 k [1mfile-libs [m aarch64 5.39-3.fc34 fedora 591 k [1mfilesystem [m aarch64 3.14-4.fc34 fedora 1.1 M [1mfonts-srpm-macros [m noarch 1:2.0.5-4.fc33 fedora 27 k [1mfpc-srpm-macros [m noarch 1.3-2.fc33 fedora 7.6 k [1mgc [m aarch64 8.0.4-4.fc33 fedora 102 k [1mgdb-minimal [m aarch64 10.1-1.fc34 fedora 3.2 M [1mghc-srpm-macros [m noarch 1.5.0-3.fc33 fedora 7.7 k [1mglibc [m aarch64 2.32.9000-14.fc34 fedora 3.4 M [1mglibc-common [m aarch64 2.32.9000-14.fc34 fedora 1.8 M [1mgmp [m aarch64 1:6.2.0-5.fc34 fedora 272 k [1mgnat-srpm-macros [m noarch 4-12.fc33 fedora 8.2 k [1mgo-srpm-macros [m noarch 3.0.9-1.fc34 fedora 25 k [1mguile22 [m aarch64 2.2.6-6.fc34 fedora 6.6 M [1mkernel-srpm-macros [m noarch 1.0-3.fc33 fedora 7.2 k [1mkeyutils-libs [m aarch64 1.6-5.fc33 fedora 31 k [1mkrb5-libs [m aarch64 1.18.2-29.fc34 fedora 738 k [1mlibacl [m aarch64 2.2.53-9.fc34 fedora 23 k [1mlibarchive [m aarch64 3.4.3-3.fc33 fedora 390 k [1mlibattr [m aarch64 2.4.48-10.fc33 fedora 18 k [1mlibblkid [m aarch64 2.36-3.fc34 fedora 103 k [1mlibbrotli [m aarch64 1.0.9-3.fc34 fedora 324 k [1mlibcap [m aarch64 2.44-1.fc34 fedora 60 k [1mlibcap-ng [m aarch64 0.8-1.fc34 fedora 28 k [1mlibcom_err [m aarch64 1.45.6-4.fc33 fedora 27 k [1mlibcurl [m aarch64 7.73.0-2.fc34 fedora 279 k [1mlibdb [m aarch64 5.3.28-44.fc33 fedora 741 k [1mlibeconf [m aarch64 0.3.8-4.fc33 fedora 23 k [1mlibfdisk [m aarch64 2.36-3.fc34 fedora 149 k [1mlibffi [m aarch64 3.1-26.fc33 fedora 32 k [1mlibgcc [m aarch64 10.2.1-7.fc34 fedora 94 k [1mlibgcrypt [m aarch64 1.8.6-4.fc34 fedora 417 k [1mlibgomp [m aarch64 10.2.1-7.fc34 fedora 258 k [1mlibgpg-error [m aarch64 1.37-2.fc33 fedora 204 k [1mlibidn2 [m aarch64 2.3.0-4.fc33 fedora 104 k [1mlibmetalink [m aarch64 0.1.3-13.fc33 fedora 30 k [1mlibmount [m aarch64 2.36-3.fc34 fedora 131 k [1mlibnghttp2 [m aarch64 1.41.0-3.fc33 fedora 72 k [1mlibnsl2 [m aarch64 1.3.0-1.fc34 fedora 57 k [1mlibpkgconf [m aarch64 1.7.3-5.fc34 fedora 36 k [1mlibpsl [m aarch64 0.21.1-2.fc33 fedora 61 k [1mlibpwquality [m aarch64 1.4.4-1.fc34 fedora 104 k [1mlibselinux [m aarch64 3.1-4.fc34 fedora 84 k [1mlibsemanage [m aarch64 3.1-4.fc34 fedora 113 k [1mlibsepol [m aarch64 3.1-4.fc34 fedora 279 k [1mlibsigsegv [m aarch64 2.11-11.fc33 fedora 26 k [1mlibsmartcols [m aarch64 2.36-3.fc34 fedora 61 k [1mlibssh [m aarch64 0.9.5-1.fc34 fedora 209 k [1mlibssh-config [m noarch 0.9.5-1.fc34 fedora 11 k [1mlibstdc++ [m aarch64 10.2.1-7.fc34 fedora 589 k [1mlibtasn1 [m aarch64 4.16.0-3.fc33 fedora 74 k [1mlibtirpc [m aarch64 1.2.6-2.rc4.fc33 fedora 95 k [1mlibtool-ltdl [m aarch64 2.4.6-36.fc33 fedora 36 k [1mlibunistring [m aarch64 0.9.10-9.fc33 fedora 510 k [1mlibutempter [m aarch64 1.2.1-3.fc34 fedora 26 k [1mlibuuid [m aarch64 2.36-3.fc34 fedora 28 k [1mlibverto [m aarch64 0.3.0-11.fc34 fedora 21 k [1mlibxcrypt [m aarch64 4.4.17-1.fc34 fedora 127 k [1mlibxml2 [m aarch64 2.9.10-7.fc34 fedora 729 k [1mlibzstd [m aarch64 1.4.5-6.fc34 fedora 294 k [1mlua-libs [m aarch64 5.4.1-1.fc34 fedora 213 k [1mlua-srpm-macros [m noarch 1-2.fc34 fedora 7.9 k [1mlz4-libs [m aarch64 1.9.1-3.fc33 fedora 57 k [1mmpfr [m aarch64 4.1.0-2.fc33 fedora 244 k [1mncurses-base [m noarch 6.2-3.20200222.fc33 fedora 60 k [1mncurses-libs [m aarch64 6.2-3.20200222.fc33 fedora 322 k [1mnim-srpm-macros [m noarch 3-3.fc33 fedora 8.3 k [1mocaml-srpm-macros [m noarch 6-3.fc33 fedora 7.7 k [1mopenblas-srpm-macros [m noarch 2-8.fc33 fedora 7.2 k [1mopenldap [m aarch64 2.4.55-1.fc34 fedora 307 k [1mopenssl-libs [m aarch64 1:1.1.1g-15.fc33 fedora 1.4 M [1mp11-kit [m aarch64 0.23.21-2.fc34 fedora 351 k [1mp11-kit-trust [m aarch64 0.23.21-2.fc34 fedora 138 k [1mpam [m aarch64 1.4.0-7.fc34 fedora 561 k [1mpcre [m aarch64 8.44-2.fc34 fedora 182 k [1mpcre2 [m aarch64 10.35-8.fc34 fedora 214 k [1mpcre2-syntax [m noarch 10.35-8.fc34 fedora 142 k [1mperl-srpm-macros [m noarch 1-38.fc33 fedora 8.3 k [1mpkgconf [m aarch64 1.7.3-5.fc34 fedora 41 k [1mpkgconf-m4 [m noarch 1.7.3-5.fc34 fedora 14 k [1mpkgconf-pkg-config [m aarch64 1.7.3-5.fc34 fedora 10 k [1mpopt [m aarch64 1.18-2.fc33 fedora 59 k [1mpublicsuffix-list-dafsa [m noarch 20190417-4.fc33 fedora 55 k [1mpython-srpm-macros [m noarch 3.9-10.fc34 fedora 21 k [1mqt5-srpm-macros [m noarch 5.15.1-1.fc34 fedora 8.4 k [1mreadline [m aarch64 8.0-5.fc33 fedora 207 k [1mrpm [m aarch64 4.16.0-3.fc34 fedora 501 k [1mrpm-build-libs [m aarch64 4.16.0-3.fc34 fedora 93 k [1mrpm-libs [m aarch64 4.16.0-3.fc34 fedora 319 k [1mrust-srpm-macros [m noarch 15-2.fc33 fedora 9.8 k [1msetup [m noarch 2.13.7-2.fc33 fedora 142 k [1msqlite-libs [m aarch64 3.33.0-2.fc34 fedora 623 k [1msystemd-libs [m aarch64 246.6-3.fc34 fedora 563 k [1mtzdata [m noarch 2020d-1.fc34 fedora 430 k [1mxxhash-libs [m aarch64 0.8.0-1.fc33 fedora 32 k [1mxz-libs [m aarch64 5.2.5-3.fc33 fedora 90 k [1mzip [m aarch64 3.0-27.fc33 fedora 255 k [1mzlib [m aarch64 1.2.11-22.fc33 fedora 96 k [1mzstd [m aarch64 1.4.5-6.fc34 fedora 310 k Installing Groups: Buildsystem building group Transaction Summary ======================================================================================== Install 148 Packages Total download size: 56 M Installed size: 249 M Downloading Packages: (1/148): alternatives-1.14-3.fc33.aarch64.rpm 459 kB/s | 35 kB 00:00 (2/148): basesystem-11-10.fc33.noarch.rpm 89 kB/s | 6.8 kB 00:00 (3/148): audit-libs-3.0-0.21.20191104git1c2f876 1.4 MB/s | 112 kB 00:00 (4/148): bash-5.0.17-2.fc33.aarch64.rpm 53 MB/s | 1.6 MB 00:00 (5/148): binutils-gold-2.35.1-13.fc34.aarch64.r 21 MB/s | 911 kB 00:00 (6/148): bzip2-1.0.8-4.fc33.aarch64.rpm 2.3 MB/s | 51 kB 00:00 (7/148): bzip2-libs-1.0.8-4.fc33.aarch64.rpm 2.9 MB/s | 42 kB 00:00 (8/148): ca-certificates-2020.2.41-4.fc33.noarc 24 MB/s | 352 kB 00:00 (9/148): coreutils-8.32-14.fc34.aarch64.rpm 57 MB/s | 1.1 MB 00:00 (10/148): binutils-2.35.1-13.fc34.aarch64.rpm 50 MB/s | 5.7 MB 00:00 (11/148): coreutils-common-8.32-14.fc34.aarch64 56 MB/s | 2.0 MB 00:00 (12/148): cpio-2.13-8.fc33.aarch64.rpm 11 MB/s | 271 kB 00:00 (13/148): crypto-policies-20200918-1.git85dccc5 7.7 MB/s | 57 kB 00:00 (14/148): curl-7.73.0-2.fc34.aarch64.rpm 36 MB/s | 296 kB 00:00 (15/148): cyrus-sasl-lib-2.1.27-6.fc33.aarch64. 31 MB/s | 104 kB 00:00 (16/148): diffutils-3.7-7.fc34.aarch64.rpm 40 MB/s | 386 kB 00:00 (17/148): dwz-0.13-4.fc33.aarch64.rpm 13 MB/s | 105 kB 00:00 (18/148): efi-srpm-macros-4-5.fc33.noarch.rpm 3.5 MB/s | 21 kB 00:00 (19/148): ed-1.14.2-9.fc33.aarch64.rpm 4.0 MB/s | 74 kB 00:00 (20/148): elfutils-0.182-1.fc34.aarch64.rpm 44 MB/s | 527 kB 00:00 (21/148): elfutils-default-yama-scope-0.182-1.f 5.1 MB/s | 17 kB 00:00 (22/148): elfutils-debuginfod-client-0.182-1.fc 6.1 MB/s | 32 kB 00:00 (23/148): elfutils-libelf-0.182-1.fc34.aarch64. 41 MB/s | 195 kB 00:00 (24/148): elfutils-libs-0.182-1.fc34.aarch64.rp 45 MB/s | 270 kB 00:00 (25/148): expat-2.2.8-3.fc33.aarch64.rpm 22 MB/s | 98 kB 00:00 (26/148): fedora-gpg-keys-34-0.8.noarch.rpm 21 MB/s | 107 kB 00:00 (27/148): fedora-release-34-0.9.noarch.rpm 4.9 MB/s | 12 kB 00:00 (28/148): fedora-release-common-34-0.9.noarch.r 7.6 MB/s | 21 kB 00:00 (29/148): fedora-release-identity-basic-34-0.9. 4.6 MB/s | 13 kB 00:00 (30/148): fedora-repos-34-0.8.noarch.rpm 4.2 MB/s | 11 kB 00:00 (31/148): fedora-repos-rawhide-34-0.8.noarch.rp 3.1 MB/s | 10 kB 00:00 (32/148): file-libs-5.39-3.fc34.aarch64.rpm 77 MB/s | 591 kB 00:00 (33/148): filesystem-3.14-4.fc34.aarch64.rpm 93 MB/s | 1.1 MB 00:00 (34/148): file-5.39-3.fc34.aarch64.rpm 2.1 MB/s | 52 kB 00:00 (35/148): findutils-4.7.0-7.fc33.aarch64.rpm 38 MB/s | 539 kB 00:00 (36/148): cracklib-2.9.6-24.fc33.aarch64.rpm 713 kB/s | 82 kB 00:00 (37/148): fpc-srpm-macros-1.3-2.fc33.noarch.rpm 1.2 MB/s | 7.6 kB 00:00 (38/148): fonts-srpm-macros-2.0.5-4.fc33.noarch 1.1 MB/s | 27 kB 00:00 (39/148): gawk-5.1.0-2.fc33.aarch64.rpm 75 MB/s | 986 kB 00:00 (40/148): gc-8.0.4-4.fc33.aarch64.rpm 8.5 MB/s | 102 kB 00:00 (41/148): glibc-2.32.9000-14.fc34.aarch64.rpm 102 MB/s | 3.4 MB 00:00 (42/148): ghc-srpm-macros-1.5.0-3.fc33.noarch.r 222 kB/s | 7.7 kB 00:00 (43/148): glibc-common-2.32.9000-14.fc34.aarch6 52 MB/s | 1.8 MB 00:00 (44/148): gdb-minimal-10.1-1.fc34.aarch64.rpm 38 MB/s | 3.2 MB 00:00 (45/148): glibc-minimal-langpack-2.32.9000-14.f 2.6 MB/s | 95 kB 00:00 (46/148): gmp-6.2.0-5.fc34.aarch64.rpm 23 MB/s | 272 kB 00:00 (47/148): grep-3.5-1.fc34.aarch64.rpm 50 MB/s | 258 kB 00:00 (48/148): gnat-srpm-macros-4-12.fc33.noarch.rpm 976 kB/s | 8.2 kB 00:00 (49/148): go-srpm-macros-3.0.9-1.fc34.noarch.rp 2.9 MB/s | 25 kB 00:00 (50/148): info-6.7-8.fc33.aarch64.rpm 23 MB/s | 225 kB 00:00 (51/148): gzip-1.10-3.fc33.aarch64.rpm 12 MB/s | 150 kB 00:00 (52/148): keyutils-libs-1.6-5.fc33.aarch64.rpm 10 MB/s | 31 kB 00:00 (53/148): kernel-srpm-macros-1.0-3.fc33.noarch. 1.2 MB/s | 7.2 kB 00:00 (54/148): krb5-libs-1.18.2-29.fc34.aarch64.rpm 80 MB/s | 738 kB 00:00 (55/148): libacl-2.2.53-9.fc34.aarch64.rpm 2.7 MB/s | 23 kB 00:00 (56/148): libattr-2.4.48-10.fc33.aarch64.rpm 4.3 MB/s | 18 kB 00:00 (57/148): libarchive-3.4.3-3.fc33.aarch64.rpm 45 MB/s | 390 kB 00:00 (58/148): libblkid-2.36-3.fc34.aarch64.rpm 22 MB/s | 103 kB 00:00 (59/148): libbrotli-1.0.9-3.fc34.aarch64.rpm 44 MB/s | 324 kB 00:00 (60/148): libcap-2.44-1.fc34.aarch64.rpm 7.6 MB/s | 60 kB 00:00 (61/148): libcap-ng-0.8-1.fc34.aarch64.rpm 6.7 MB/s | 28 kB 00:00 (62/148): libcom_err-1.45.6-4.fc33.aarch64.rpm 7.4 MB/s | 27 kB 00:00 (63/148): libcurl-7.73.0-2.fc34.aarch64.rpm 35 MB/s | 279 kB 00:00 (64/148): libdb-5.3.28-44.fc33.aarch64.rpm 48 MB/s | 741 kB 00:00 (65/148): libeconf-0.3.8-4.fc33.aarch64.rpm 1.8 MB/s | 23 kB 00:00 (66/148): libfdisk-2.36-3.fc34.aarch64.rpm 9.8 MB/s | 149 kB 00:00 (67/148): libffi-3.1-26.fc33.aarch64.rpm 2.9 MB/s | 32 kB 00:00 (68/148): libgcc-10.2.1-7.fc34.aarch64.rpm 17 MB/s | 94 kB 00:00 (69/148): libgcrypt-1.8.6-4.fc34.aarch64.rpm 34 MB/s | 417 kB 00:00 (70/148): libgomp-10.2.1-7.fc34.aarch64.rpm 19 MB/s | 258 kB 00:00 (71/148): libgpg-error-1.37-2.fc33.aarch64.rpm 18 MB/s | 204 kB 00:00 (72/148): guile22-2.2.6-6.fc34.aarch64.rpm 44 MB/s | 6.6 MB 00:00 (73/148): libidn2-2.3.0-4.fc33.aarch64.rpm 5.0 MB/s | 104 kB 00:00 (74/148): libmetalink-0.1.3-13.fc33.aarch64.rpm 1.7 MB/s | 30 kB 00:00 (75/148): libmount-2.36-3.fc34.aarch64.rpm 11 MB/s | 131 kB 00:00 (76/148): libnghttp2-1.41.0-3.fc33.aarch64.rpm 5.7 MB/s | 72 kB 00:00 (77/148): libnsl2-1.3.0-1.fc34.aarch64.rpm 4.7 MB/s | 57 kB 00:00 (78/148): libpsl-0.21.1-2.fc33.aarch64.rpm 16 MB/s | 61 kB 00:00 (79/148): libpkgconf-1.7.3-5.fc34.aarch64.rpm 4.1 MB/s | 36 kB 00:00 (80/148): libselinux-3.1-4.fc34.aarch64.rpm 16 MB/s | 84 kB 00:00 (81/148): libpwquality-1.4.4-1.fc34.aarch64.rpm 8.3 MB/s | 104 kB 00:00 (82/148): libsemanage-3.1-4.fc34.aarch64.rpm 19 MB/s | 113 kB 00:00 (83/148): libsepol-3.1-4.fc34.aarch64.rpm 42 MB/s | 279 kB 00:00 (84/148): libsigsegv-2.11-11.fc33.aarch64.rpm 4.6 MB/s | 26 kB 00:00 (85/148): libsmartcols-2.36-3.fc34.aarch64.rpm 12 MB/s | 61 kB 00:00 (86/148): libssh-0.9.5-1.fc34.aarch64.rpm 34 MB/s | 209 kB 00:00 (87/148): libssh-config-0.9.5-1.fc34.noarch.rpm 1.8 MB/s | 11 kB 00:00 (88/148): libtasn1-4.16.0-3.fc33.aarch64.rpm 15 MB/s | 74 kB 00:00 (89/148): libtirpc-1.2.6-2.rc4.fc33.aarch64.rpm 14 MB/s | 95 kB 00:00 (90/148): libstdc++-10.2.1-7.fc34.aarch64.rpm 49 MB/s | 589 kB 00:00 (91/148): libunistring-0.9.10-9.fc33.aarch64.rp 49 MB/s | 510 kB 00:00 (92/148): libutempter-1.2.1-3.fc34.aarch64.rpm 3.4 MB/s | 26 kB 00:00 (93/148): libtool-ltdl-2.4.6-36.fc33.aarch64.rp 2.1 MB/s | 36 kB 00:00 (94/148): libuuid-2.36-3.fc34.aarch64.rpm 8.0 MB/s | 28 kB 00:00 (95/148): libverto-0.3.0-11.fc34.aarch64.rpm 6.3 MB/s | 21 kB 00:00 (96/148): libxcrypt-4.4.17-1.fc34.aarch64.rpm 32 MB/s | 127 kB 00:00 (97/148): libxml2-2.9.10-7.fc34.aarch64.rpm 68 MB/s | 729 kB 00:00 (98/148): lua-libs-5.4.1-1.fc34.aarch64.rpm 21 MB/s | 213 kB 00:00 (99/148): libzstd-1.4.5-6.fc34.aarch64.rpm 22 MB/s | 294 kB 00:00 (100/148): lua-srpm-macros-1-2.fc34.noarch.rpm 2.0 MB/s | 7.9 kB 00:00 (101/148): lz4-libs-1.9.1-3.fc33.aarch64.rpm 15 MB/s | 57 kB 00:00 (102/148): ncurses-base-6.2-3.20200222.fc33.noa 20 MB/s | 60 kB 00:00 (103/148): mpfr-4.1.0-2.fc33.aarch64.rpm 33 MB/s | 244 kB 00:00 (104/148): make-4.3-2.fc33.aarch64.rpm 39 MB/s | 537 kB 00:00 (105/148): ncurses-libs-6.2-3.20200222.fc33.aar 37 MB/s | 322 kB 00:00 (106/148): nim-srpm-macros-3-3.fc33.noarch.rpm 1.4 MB/s | 8.3 kB 00:00 (107/148): openldap-2.4.55-1.fc34.aarch64.rpm 64 MB/s | 307 kB 00:00 (108/148): openblas-srpm-macros-2-8.fc33.noarch 1.0 MB/s | 7.2 kB 00:00 (109/148): ocaml-srpm-macros-6-3.fc33.noarch.rp 741 kB/s | 7.7 kB 00:00 (110/148): openssl-libs-1.1.1g-15.fc33.aarch64. 89 MB/s | 1.4 MB 00:00 (111/148): p11-kit-0.23.21-2.fc34.aarch64.rpm 22 MB/s | 351 kB 00:00 (112/148): p11-kit-trust-0.23.21-2.fc34.aarch64 16 MB/s | 138 kB 00:00 (113/148): pcre-8.44-2.fc34.aarch64.rpm 40 MB/s | 182 kB 00:00 (114/148): pam-1.4.0-7.fc34.aarch64.rpm 52 MB/s | 561 kB 00:00 (115/148): patch-2.7.6-13.fc33.aarch64.rpm 11 MB/s | 126 kB 00:00 (116/148): pcre2-10.35-8.fc34.aarch64.rpm 41 MB/s | 214 kB 00:00 (117/148): pcre2-syntax-10.35-8.fc34.noarch.rpm 34 MB/s | 142 kB 00:00 (118/148): pkgconf-1.7.3-5.fc34.aarch64.rpm 6.0 MB/s | 41 kB 00:00 (119/148): pkgconf-m4-1.7.3-5.fc34.noarch.rpm 2.3 MB/s | 14 kB 00:00 (120/148): pkgconf-pkg-config-1.7.3-5.fc34.aarc 2.0 MB/s | 10 kB 00:00 (121/148): popt-1.18-2.fc33.aarch64.rpm 15 MB/s | 59 kB 00:00 (122/148): publicsuffix-list-dafsa-20190417-4.f 16 MB/s | 55 kB 00:00 (123/148): perl-srpm-macros-1-38.fc33.noarch.rp 427 kB/s | 8.3 kB 00:00 (124/148): python-srpm-macros-3.9-10.fc34.noarc 3.6 MB/s | 21 kB 00:00 (125/148): readline-8.0-5.fc33.aarch64.rpm 51 MB/s | 207 kB 00:00 (126/148): qt5-srpm-macros-5.15.1-1.fc34.noarch 1.2 MB/s | 8.4 kB 00:00 (127/148): rpm-4.16.0-3.fc34.aarch64.rpm 52 MB/s | 501 kB 00:00 (128/148): rpm-build-4.16.0-3.fc34.aarch64.rpm 10 MB/s | 94 kB 00:00 (129/148): rpm-build-libs-4.16.0-3.fc34.aarch64 26 MB/s | 93 kB 00:00 (130/148): redhat-rpm-config-177-1.fc34.noarch. 3.8 MB/s | 65 kB 00:00 (131/148): rpm-libs-4.16.0-3.fc34.aarch64.rpm 47 MB/s | 319 kB 00:00 (132/148): sed-4.8-6.fc34.aarch64.rpm 57 MB/s | 296 kB 00:00 (133/148): rust-srpm-macros-15-2.fc33.noarch.rp 998 kB/s | 9.8 kB 00:00 (134/148): setup-2.13.7-2.fc33.noarch.rpm 23 MB/s | 142 kB 00:00 (135/148): shadow-utils-4.8.1-5.fc34.aarch64.rp 73 MB/s | 1.2 MB 00:00 (136/148): sqlite-libs-3.33.0-2.fc34.aarch64.rp 37 MB/s | 623 kB 00:00 (137/148): systemd-libs-246.6-3.fc34.aarch64.rp 31 MB/s | 563 kB 00:00 (138/148): tzdata-2020d-1.fc34.noarch.rpm 58 MB/s | 430 kB 00:00 (139/148): tar-1.32-6.fc33.aarch64.rpm 60 MB/s | 878 kB 00:00 (140/148): util-linux-2.36-3.fc34.aarch64.rpm 112 MB/s | 2.6 MB 00:00 (141/148): unzip-6.0-49.fc33.aarch64.rpm 4.8 MB/s | 181 kB 00:00 (142/148): which-2.21-20.fc33.aarch64.rpm 1.8 MB/s | 41 kB 00:00 (143/148): xz-libs-5.2.5-3.fc33.aarch64.rpm 22 MB/s | 90 kB 00:00 (144/148): xz-5.2.5-3.fc33.aarch64.rpm 27 MB/s | 217 kB 00:00 (145/148): xxhash-libs-0.8.0-1.fc33.aarch64.rpm 2.3 MB/s | 32 kB 00:00 (146/148): zip-3.0-27.fc33.aarch64.rpm 24 MB/s | 255 kB 00:00 (147/148): zlib-1.2.11-22.fc33.aarch64.rpm 13 MB/s | 96 kB 00:00 (148/148): zstd-1.4.5-6.fc34.aarch64.rpm 24 MB/s | 310 kB 00:00 -------------------------------------------------------------------------------- Total 59 MB/s | 56 MB 00:00 warning: /var/lib/mock/fedora-rawhide-aarch64-1605003826.552645/root/var/cache/dnf/fedora-135a69fc59e3201d/packages/alternatives-1.14-3.fc33.aarch64.rpm: Header V4 RSA/SHA256 Signature, key ID 45719a39: NOKEY fedora 1.6 MB/s | 1.6 kB 00:00 Importing GPG key 0x45719A39: Userid : "Fedora (34) " Fingerprint: 8C5B A699 0BDB 26E1 9F2A 1A80 1161 AE69 4571 9A39 From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-34-primary Key imported successfully fedora 1.6 MB/s | 1.6 kB 00:00 GPG key at file:///usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-34-primary (0x45719A39) is already installed fedora 1.6 MB/s | 1.6 kB 00:00 Importing GPG key 0x9570FF31: Userid : "Fedora (33) " Fingerprint: 963A 2BEB 0200 9608 FE67 EA42 49FD 7749 9570 FF31 From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-33-primary Key imported successfully Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Running scriptlet: filesystem-3.14-4.fc34.aarch64 1/1 Preparing : 1/1 Installing : libgcc-10.2.1-7.fc34.aarch64 1/148 Running scriptlet: libgcc-10.2.1-7.fc34.aarch64 1/148 Installing : crypto-policies-20200918-1.git85dccc5.fc34.noarc 2/148 Running scriptlet: crypto-policies-20200918-1.git85dccc5.fc34.noarc 2/148 Installing : fedora-release-identity-basic-34-0.9.noarch 3/148 Installing : tzdata-2020d-1.fc34.noarch 4/148 Installing : rust-srpm-macros-15-2.fc33.noarch 5/148 Installing : qt5-srpm-macros-5.15.1-1.fc34.noarch 6/148 Installing : publicsuffix-list-dafsa-20190417-4.fc33.noarch 7/148 Installing : pkgconf-m4-1.7.3-5.fc34.noarch 8/148 Installing : perl-srpm-macros-1-38.fc33.noarch 9/148 Installing : pcre2-syntax-10.35-8.fc34.noarch 10/148 Installing : openblas-srpm-macros-2-8.fc33.noarch 11/148 Installing : ocaml-srpm-macros-6-3.fc33.noarch 12/148 Installing : nim-srpm-macros-3-3.fc33.noarch 13/148 Installing : ncurses-base-6.2-3.20200222.fc33.noarch 14/148 Installing : libssh-config-0.9.5-1.fc34.noarch 15/148 Installing : kernel-srpm-macros-1.0-3.fc33.noarch 16/148 Installing : gnat-srpm-macros-4-12.fc33.noarch 17/148 Installing : ghc-srpm-macros-1.5.0-3.fc33.noarch 18/148 Installing : fpc-srpm-macros-1.3-2.fc33.noarch 19/148 Installing : fedora-gpg-keys-34-0.8.noarch 20/148 Installing : fedora-release-34-0.9.noarch 21/148 Installing : fedora-release-common-34-0.9.noarch 22/148 Installing : fedora-repos-rawhide-34-0.8.noarch 23/148 Installing : fedora-repos-34-0.8.noarch 24/148 Installing : setup-2.13.7-2.fc33.noarch 25/148 Running scriptlet: setup-2.13.7-2.fc33.noarch 25/148 Installing : filesystem-3.14-4.fc34.aarch64 26/148 Installing : basesystem-11-10.fc33.noarch 27/148 Installing : glibc-minimal-langpack-2.32.9000-14.fc34.aarch64 28/148 Installing : glibc-common-2.32.9000-14.fc34.aarch64 29/148 Running scriptlet: glibc-2.32.9000-14.fc34.aarch64 30/148 Installing : glibc-2.32.9000-14.fc34.aarch64 30/148 Running scriptlet: glibc-2.32.9000-14.fc34.aarch64 30/148 Installing : ncurses-libs-6.2-3.20200222.fc33.aarch64 31/148 Installing : bash-5.0.17-2.fc33.aarch64 32/148 Running scriptlet: bash-5.0.17-2.fc33.aarch64 32/148 Installing : zlib-1.2.11-22.fc33.aarch64 33/148 Installing : bzip2-libs-1.0.8-4.fc33.aarch64 34/148 Installing : xz-libs-5.2.5-3.fc33.aarch64 35/148 Installing : elfutils-libelf-0.182-1.fc34.aarch64 36/148 Installing : libstdc++-10.2.1-7.fc34.aarch64 37/148 Installing : libxcrypt-4.4.17-1.fc34.aarch64 38/148 Installing : libzstd-1.4.5-6.fc34.aarch64 39/148 Installing : readline-8.0-5.fc33.aarch64 40/148 Installing : gmp-1:6.2.0-5.fc34.aarch64 41/148 Installing : libattr-2.4.48-10.fc33.aarch64 42/148 Installing : libacl-2.2.53-9.fc34.aarch64 43/148 Installing : libcom_err-1.45.6-4.fc33.aarch64 44/148 Installing : libdb-5.3.28-44.fc33.aarch64 45/148 Installing : libuuid-2.36-3.fc34.aarch64 46/148 Installing : popt-1.18-2.fc33.aarch64 47/148 Installing : libcap-2.44-1.fc34.aarch64 48/148 Installing : libunistring-0.9.10-9.fc33.aarch64 49/148 Installing : libidn2-2.3.0-4.fc33.aarch64 50/148 Installing : mpfr-4.1.0-2.fc33.aarch64 51/148 Installing : unzip-6.0-49.fc33.aarch64 52/148 Installing : file-libs-5.39-3.fc34.aarch64 53/148 Installing : file-5.39-3.fc34.aarch64 54/148 Installing : sqlite-libs-3.33.0-2.fc34.aarch64 55/148 Installing : alternatives-1.14-3.fc33.aarch64 56/148 Installing : libcap-ng-0.8-1.fc34.aarch64 57/148 Installing : audit-libs-3.0-0.21.20191104git1c2f876.fc33.aarc 58/148 Installing : libffi-3.1-26.fc33.aarch64 59/148 Installing : p11-kit-0.23.21-2.fc34.aarch64 60/148 Installing : libsepol-3.1-4.fc34.aarch64 61/148 Installing : lua-libs-5.4.1-1.fc34.aarch64 62/148 Installing : lz4-libs-1.9.1-3.fc33.aarch64 63/148 Installing : pcre2-10.35-8.fc34.aarch64 64/148 Installing : libselinux-3.1-4.fc34.aarch64 65/148 Installing : sed-4.8-6.fc34.aarch64 66/148 Installing : findutils-1:4.7.0-7.fc33.aarch64 67/148 Installing : libsemanage-3.1-4.fc34.aarch64 68/148 Installing : shadow-utils-2:4.8.1-5.fc34.aarch64 69/148 Running scriptlet: libutempter-1.2.1-3.fc34.aarch64 70/148 Installing : libutempter-1.2.1-3.fc34.aarch64 70/148 Installing : tar-2:1.32-6.fc33.aarch64 71/148 Installing : zip-3.0-27.fc33.aarch64 72/148 Installing : libpsl-0.21.1-2.fc33.aarch64 73/148 Installing : gc-8.0.4-4.fc33.aarch64 74/148 Installing : dwz-0.13-4.fc33.aarch64 75/148 Installing : libxml2-2.9.10-7.fc34.aarch64 76/148 Installing : bzip2-1.0.8-4.fc33.aarch64 77/148 Installing : info-6.7-8.fc33.aarch64 78/148 Installing : ed-1.14.2-9.fc33.aarch64 79/148 Installing : patch-2.7.6-13.fc33.aarch64 80/148 Installing : elfutils-default-yama-scope-0.182-1.fc34.noarch 81/148 Running scriptlet: elfutils-default-yama-scope-0.182-1.fc34.noarch 81/148 Installing : zstd-1.4.5-6.fc34.aarch64 82/148 Installing : cpio-2.13-8.fc33.aarch64 83/148 Installing : diffutils-3.7-7.fc34.aarch64 84/148 Installing : expat-2.2.8-3.fc33.aarch64 85/148 Installing : libmetalink-0.1.3-13.fc33.aarch64 86/148 Installing : keyutils-libs-1.6-5.fc33.aarch64 87/148 Installing : libbrotli-1.0.9-3.fc34.aarch64 88/148 Installing : libeconf-0.3.8-4.fc33.aarch64 89/148 Installing : libgomp-10.2.1-7.fc34.aarch64 90/148 Installing : libgpg-error-1.37-2.fc33.aarch64 91/148 Installing : libgcrypt-1.8.6-4.fc34.aarch64 92/148 Installing : libnghttp2-1.41.0-3.fc33.aarch64 93/148 Installing : libpkgconf-1.7.3-5.fc34.aarch64 94/148 Installing : pkgconf-1.7.3-5.fc34.aarch64 95/148 Installing : pkgconf-pkg-config-1.7.3-5.fc34.aarch64 96/148 Installing : libsigsegv-2.11-11.fc33.aarch64 97/148 Installing : gawk-5.1.0-2.fc33.aarch64 98/148 Installing : libsmartcols-2.36-3.fc34.aarch64 99/148 Installing : libtasn1-4.16.0-3.fc33.aarch64 100/148 Installing : p11-kit-trust-0.23.21-2.fc34.aarch64 101/148 Running scriptlet: p11-kit-trust-0.23.21-2.fc34.aarch64 101/148 Installing : libtool-ltdl-2.4.6-36.fc33.aarch64 102/148 Installing : libverto-0.3.0-11.fc34.aarch64 103/148 Installing : pcre-8.44-2.fc34.aarch64 104/148 Installing : grep-3.5-1.fc34.aarch64 105/148 Installing : xz-5.2.5-3.fc33.aarch64 106/148 Installing : xxhash-libs-0.8.0-1.fc33.aarch64 107/148 Installing : coreutils-common-8.32-14.fc34.aarch64 108/148 Installing : openssl-libs-1:1.1.1g-15.fc33.aarch64 109/148 Installing : coreutils-8.32-14.fc34.aarch64 110/148 Running scriptlet: ca-certificates-2020.2.41-4.fc33.noarch 111/148 Installing : ca-certificates-2020.2.41-4.fc33.noarch 111/148 Running scriptlet: ca-certificates-2020.2.41-4.fc33.noarch 111/148 Installing : krb5-libs-1.18.2-29.fc34.aarch64 112/148 Installing : libblkid-2.36-3.fc34.aarch64 113/148 Running scriptlet: libblkid-2.36-3.fc34.aarch64 113/148 Installing : libtirpc-1.2.6-2.rc4.fc33.aarch64 114/148 Installing : gzip-1.10-3.fc33.aarch64 115/148 Installing : cracklib-2.9.6-24.fc33.aarch64 116/148 Installing : libnsl2-1.3.0-1.fc34.aarch64 117/148 Installing : libpwquality-1.4.4-1.fc34.aarch64 118/148 Installing : pam-1.4.0-7.fc34.aarch64 119/148 Installing : libfdisk-2.36-3.fc34.aarch64 120/148 Installing : libmount-2.36-3.fc34.aarch64 121/148 Installing : cyrus-sasl-lib-2.1.27-6.fc33.aarch64 122/148 Installing : openldap-2.4.55-1.fc34.aarch64 123/148 Installing : libssh-0.9.5-1.fc34.aarch64 124/148 Installing : libcurl-7.73.0-2.fc34.aarch64 125/148 Installing : elfutils-libs-0.182-1.fc34.aarch64 126/148 Installing : elfutils-debuginfod-client-0.182-1.fc34.aarch64 127/148 Installing : binutils-gold-2.35.1-13.fc34.aarch64 128/148 Installing : binutils-2.35.1-13.fc34.aarch64 129/148 Running scriptlet: binutils-2.35.1-13.fc34.aarch64 129/148 Installing : elfutils-0.182-1.fc34.aarch64 130/148 Installing : gdb-minimal-10.1-1.fc34.aarch64 131/148 Installing : curl-7.73.0-2.fc34.aarch64 132/148 Installing : guile22-2.2.6-6.fc34.aarch64 133/148 Installing : systemd-libs-246.6-3.fc34.aarch64 134/148 Running scriptlet: systemd-libs-246.6-3.fc34.aarch64 134/148 Installing : libarchive-3.4.3-3.fc33.aarch64 135/148 Installing : rpm-4.16.0-3.fc34.aarch64 136/148 Installing : rpm-libs-4.16.0-3.fc34.aarch64 137/148 Installing : rpm-build-libs-4.16.0-3.fc34.aarch64 138/148 Installing : efi-srpm-macros-4-5.fc33.noarch 139/148 Installing : fonts-srpm-macros-1:2.0.5-4.fc33.noarch 140/148 Installing : go-srpm-macros-3.0.9-1.fc34.noarch 141/148 Installing : lua-srpm-macros-1-2.fc34.noarch 142/148 Installing : python-srpm-macros-3.9-10.fc34.noarch 143/148 Installing : redhat-rpm-config-177-1.fc34.noarch 144/148 Installing : rpm-build-4.16.0-3.fc34.aarch64 145/148 Installing : util-linux-2.36-3.fc34.aarch64 146/148 Running scriptlet: util-linux-2.36-3.fc34.aarch64 146/148 Installing : make-1:4.3-2.fc33.aarch64 147/148 Installing : which-2.21-20.fc33.aarch64 148/148 Running scriptlet: filesystem-3.14-4.fc34.aarch64 148/148 Running scriptlet: ca-certificates-2020.2.41-4.fc33.noarch 148/148 Running scriptlet: rpm-4.16.0-3.fc34.aarch64 148/148 Running scriptlet: which-2.21-20.fc33.aarch64 148/148 Verifying : alternatives-1.14-3.fc33.aarch64 1/148 Verifying : audit-libs-3.0-0.21.20191104git1c2f876.fc33.aarc 2/148 Verifying : basesystem-11-10.fc33.noarch 3/148 Verifying : bash-5.0.17-2.fc33.aarch64 4/148 Verifying : binutils-2.35.1-13.fc34.aarch64 5/148 Verifying : binutils-gold-2.35.1-13.fc34.aarch64 6/148 Verifying : bzip2-1.0.8-4.fc33.aarch64 7/148 Verifying : bzip2-libs-1.0.8-4.fc33.aarch64 8/148 Verifying : ca-certificates-2020.2.41-4.fc33.noarch 9/148 Verifying : coreutils-8.32-14.fc34.aarch64 10/148 Verifying : coreutils-common-8.32-14.fc34.aarch64 11/148 Verifying : cpio-2.13-8.fc33.aarch64 12/148 Verifying : cracklib-2.9.6-24.fc33.aarch64 13/148 Verifying : crypto-policies-20200918-1.git85dccc5.fc34.noarc 14/148 Verifying : curl-7.73.0-2.fc34.aarch64 15/148 Verifying : cyrus-sasl-lib-2.1.27-6.fc33.aarch64 16/148 Verifying : diffutils-3.7-7.fc34.aarch64 17/148 Verifying : dwz-0.13-4.fc33.aarch64 18/148 Verifying : ed-1.14.2-9.fc33.aarch64 19/148 Verifying : efi-srpm-macros-4-5.fc33.noarch 20/148 Verifying : elfutils-0.182-1.fc34.aarch64 21/148 Verifying : elfutils-debuginfod-client-0.182-1.fc34.aarch64 22/148 Verifying : elfutils-default-yama-scope-0.182-1.fc34.noarch 23/148 Verifying : elfutils-libelf-0.182-1.fc34.aarch64 24/148 Verifying : elfutils-libs-0.182-1.fc34.aarch64 25/148 Verifying : expat-2.2.8-3.fc33.aarch64 26/148 Verifying : fedora-gpg-keys-34-0.8.noarch 27/148 Verifying : fedora-release-34-0.9.noarch 28/148 Verifying : fedora-release-common-34-0.9.noarch 29/148 Verifying : fedora-release-identity-basic-34-0.9.noarch 30/148 Verifying : fedora-repos-34-0.8.noarch 31/148 Verifying : fedora-repos-rawhide-34-0.8.noarch 32/148 Verifying : file-5.39-3.fc34.aarch64 33/148 Verifying : file-libs-5.39-3.fc34.aarch64 34/148 Verifying : filesystem-3.14-4.fc34.aarch64 35/148 Verifying : findutils-1:4.7.0-7.fc33.aarch64 36/148 Verifying : fonts-srpm-macros-1:2.0.5-4.fc33.noarch 37/148 Verifying : fpc-srpm-macros-1.3-2.fc33.noarch 38/148 Verifying : gawk-5.1.0-2.fc33.aarch64 39/148 Verifying : gc-8.0.4-4.fc33.aarch64 40/148 Verifying : gdb-minimal-10.1-1.fc34.aarch64 41/148 Verifying : ghc-srpm-macros-1.5.0-3.fc33.noarch 42/148 Verifying : glibc-2.32.9000-14.fc34.aarch64 43/148 Verifying : glibc-common-2.32.9000-14.fc34.aarch64 44/148 Verifying : glibc-minimal-langpack-2.32.9000-14.fc34.aarch64 45/148 Verifying : gmp-1:6.2.0-5.fc34.aarch64 46/148 Verifying : gnat-srpm-macros-4-12.fc33.noarch 47/148 Verifying : go-srpm-macros-3.0.9-1.fc34.noarch 48/148 Verifying : grep-3.5-1.fc34.aarch64 49/148 Verifying : guile22-2.2.6-6.fc34.aarch64 50/148 Verifying : gzip-1.10-3.fc33.aarch64 51/148 Verifying : info-6.7-8.fc33.aarch64 52/148 Verifying : kernel-srpm-macros-1.0-3.fc33.noarch 53/148 Verifying : keyutils-libs-1.6-5.fc33.aarch64 54/148 Verifying : krb5-libs-1.18.2-29.fc34.aarch64 55/148 Verifying : libacl-2.2.53-9.fc34.aarch64 56/148 Verifying : libarchive-3.4.3-3.fc33.aarch64 57/148 Verifying : libattr-2.4.48-10.fc33.aarch64 58/148 Verifying : libblkid-2.36-3.fc34.aarch64 59/148 Verifying : libbrotli-1.0.9-3.fc34.aarch64 60/148 Verifying : libcap-2.44-1.fc34.aarch64 61/148 Verifying : libcap-ng-0.8-1.fc34.aarch64 62/148 Verifying : libcom_err-1.45.6-4.fc33.aarch64 63/148 Verifying : libcurl-7.73.0-2.fc34.aarch64 64/148 Verifying : libdb-5.3.28-44.fc33.aarch64 65/148 Verifying : libeconf-0.3.8-4.fc33.aarch64 66/148 Verifying : libfdisk-2.36-3.fc34.aarch64 67/148 Verifying : libffi-3.1-26.fc33.aarch64 68/148 Verifying : libgcc-10.2.1-7.fc34.aarch64 69/148 Verifying : libgcrypt-1.8.6-4.fc34.aarch64 70/148 Verifying : libgomp-10.2.1-7.fc34.aarch64 71/148 Verifying : libgpg-error-1.37-2.fc33.aarch64 72/148 Verifying : libidn2-2.3.0-4.fc33.aarch64 73/148 Verifying : libmetalink-0.1.3-13.fc33.aarch64 74/148 Verifying : libmount-2.36-3.fc34.aarch64 75/148 Verifying : libnghttp2-1.41.0-3.fc33.aarch64 76/148 Verifying : libnsl2-1.3.0-1.fc34.aarch64 77/148 Verifying : libpkgconf-1.7.3-5.fc34.aarch64 78/148 Verifying : libpsl-0.21.1-2.fc33.aarch64 79/148 Verifying : libpwquality-1.4.4-1.fc34.aarch64 80/148 Verifying : libselinux-3.1-4.fc34.aarch64 81/148 Verifying : libsemanage-3.1-4.fc34.aarch64 82/148 Verifying : libsepol-3.1-4.fc34.aarch64 83/148 Verifying : libsigsegv-2.11-11.fc33.aarch64 84/148 Verifying : libsmartcols-2.36-3.fc34.aarch64 85/148 Verifying : libssh-0.9.5-1.fc34.aarch64 86/148 Verifying : libssh-config-0.9.5-1.fc34.noarch 87/148 Verifying : libstdc++-10.2.1-7.fc34.aarch64 88/148 Verifying : libtasn1-4.16.0-3.fc33.aarch64 89/148 Verifying : libtirpc-1.2.6-2.rc4.fc33.aarch64 90/148 Verifying : libtool-ltdl-2.4.6-36.fc33.aarch64 91/148 Verifying : libunistring-0.9.10-9.fc33.aarch64 92/148 Verifying : libutempter-1.2.1-3.fc34.aarch64 93/148 Verifying : libuuid-2.36-3.fc34.aarch64 94/148 Verifying : libverto-0.3.0-11.fc34.aarch64 95/148 Verifying : libxcrypt-4.4.17-1.fc34.aarch64 96/148 Verifying : libxml2-2.9.10-7.fc34.aarch64 97/148 Verifying : libzstd-1.4.5-6.fc34.aarch64 98/148 Verifying : lua-libs-5.4.1-1.fc34.aarch64 99/148 Verifying : lua-srpm-macros-1-2.fc34.noarch 100/148 Verifying : lz4-libs-1.9.1-3.fc33.aarch64 101/148 Verifying : make-1:4.3-2.fc33.aarch64 102/148 Verifying : mpfr-4.1.0-2.fc33.aarch64 103/148 Verifying : ncurses-base-6.2-3.20200222.fc33.noarch 104/148 Verifying : ncurses-libs-6.2-3.20200222.fc33.aarch64 105/148 Verifying : nim-srpm-macros-3-3.fc33.noarch 106/148 Verifying : ocaml-srpm-macros-6-3.fc33.noarch 107/148 Verifying : openblas-srpm-macros-2-8.fc33.noarch 108/148 Verifying : openldap-2.4.55-1.fc34.aarch64 109/148 Verifying : openssl-libs-1:1.1.1g-15.fc33.aarch64 110/148 Verifying : p11-kit-0.23.21-2.fc34.aarch64 111/148 Verifying : p11-kit-trust-0.23.21-2.fc34.aarch64 112/148 Verifying : pam-1.4.0-7.fc34.aarch64 113/148 Verifying : patch-2.7.6-13.fc33.aarch64 114/148 Verifying : pcre-8.44-2.fc34.aarch64 115/148 Verifying : pcre2-10.35-8.fc34.aarch64 116/148 Verifying : pcre2-syntax-10.35-8.fc34.noarch 117/148 Verifying : perl-srpm-macros-1-38.fc33.noarch 118/148 Verifying : pkgconf-1.7.3-5.fc34.aarch64 119/148 Verifying : pkgconf-m4-1.7.3-5.fc34.noarch 120/148 Verifying : pkgconf-pkg-config-1.7.3-5.fc34.aarch64 121/148 Verifying : popt-1.18-2.fc33.aarch64 122/148 Verifying : publicsuffix-list-dafsa-20190417-4.fc33.noarch 123/148 Verifying : python-srpm-macros-3.9-10.fc34.noarch 124/148 Verifying : qt5-srpm-macros-5.15.1-1.fc34.noarch 125/148 Verifying : readline-8.0-5.fc33.aarch64 126/148 Verifying : redhat-rpm-config-177-1.fc34.noarch 127/148 Verifying : rpm-4.16.0-3.fc34.aarch64 128/148 Verifying : rpm-build-4.16.0-3.fc34.aarch64 129/148 Verifying : rpm-build-libs-4.16.0-3.fc34.aarch64 130/148 Verifying : rpm-libs-4.16.0-3.fc34.aarch64 131/148 Verifying : rust-srpm-macros-15-2.fc33.noarch 132/148 Verifying : sed-4.8-6.fc34.aarch64 133/148 Verifying : setup-2.13.7-2.fc33.noarch 134/148 Verifying : shadow-utils-2:4.8.1-5.fc34.aarch64 135/148 Verifying : sqlite-libs-3.33.0-2.fc34.aarch64 136/148 Verifying : systemd-libs-246.6-3.fc34.aarch64 137/148 Verifying : tar-2:1.32-6.fc33.aarch64 138/148 Verifying : tzdata-2020d-1.fc34.noarch 139/148 Verifying : unzip-6.0-49.fc33.aarch64 140/148 Verifying : util-linux-2.36-3.fc34.aarch64 141/148 Verifying : which-2.21-20.fc33.aarch64 142/148 Verifying : xxhash-libs-0.8.0-1.fc33.aarch64 143/148 Verifying : xz-5.2.5-3.fc33.aarch64 144/148 Verifying : xz-libs-5.2.5-3.fc33.aarch64 145/148 Verifying : zip-3.0-27.fc33.aarch64 146/148 Verifying : zlib-1.2.11-22.fc33.aarch64 147/148 Verifying : zstd-1.4.5-6.fc34.aarch64 148/148 Installed: alternatives-1.14-3.fc33.aarch64 audit-libs-3.0-0.21.20191104git1c2f876.fc33.aarch64 basesystem-11-10.fc33.noarch bash-5.0.17-2.fc33.aarch64 binutils-2.35.1-13.fc34.aarch64 binutils-gold-2.35.1-13.fc34.aarch64 bzip2-1.0.8-4.fc33.aarch64 bzip2-libs-1.0.8-4.fc33.aarch64 ca-certificates-2020.2.41-4.fc33.noarch coreutils-8.32-14.fc34.aarch64 coreutils-common-8.32-14.fc34.aarch64 cpio-2.13-8.fc33.aarch64 cracklib-2.9.6-24.fc33.aarch64 crypto-policies-20200918-1.git85dccc5.fc34.noarch curl-7.73.0-2.fc34.aarch64 cyrus-sasl-lib-2.1.27-6.fc33.aarch64 diffutils-3.7-7.fc34.aarch64 dwz-0.13-4.fc33.aarch64 ed-1.14.2-9.fc33.aarch64 efi-srpm-macros-4-5.fc33.noarch elfutils-0.182-1.fc34.aarch64 elfutils-debuginfod-client-0.182-1.fc34.aarch64 elfutils-default-yama-scope-0.182-1.fc34.noarch elfutils-libelf-0.182-1.fc34.aarch64 elfutils-libs-0.182-1.fc34.aarch64 expat-2.2.8-3.fc33.aarch64 fedora-gpg-keys-34-0.8.noarch fedora-release-34-0.9.noarch fedora-release-common-34-0.9.noarch fedora-release-identity-basic-34-0.9.noarch fedora-repos-34-0.8.noarch fedora-repos-rawhide-34-0.8.noarch file-5.39-3.fc34.aarch64 file-libs-5.39-3.fc34.aarch64 filesystem-3.14-4.fc34.aarch64 findutils-1:4.7.0-7.fc33.aarch64 fonts-srpm-macros-1:2.0.5-4.fc33.noarch fpc-srpm-macros-1.3-2.fc33.noarch gawk-5.1.0-2.fc33.aarch64 gc-8.0.4-4.fc33.aarch64 gdb-minimal-10.1-1.fc34.aarch64 ghc-srpm-macros-1.5.0-3.fc33.noarch glibc-2.32.9000-14.fc34.aarch64 glibc-common-2.32.9000-14.fc34.aarch64 glibc-minimal-langpack-2.32.9000-14.fc34.aarch64 gmp-1:6.2.0-5.fc34.aarch64 gnat-srpm-macros-4-12.fc33.noarch go-srpm-macros-3.0.9-1.fc34.noarch grep-3.5-1.fc34.aarch64 guile22-2.2.6-6.fc34.aarch64 gzip-1.10-3.fc33.aarch64 info-6.7-8.fc33.aarch64 kernel-srpm-macros-1.0-3.fc33.noarch keyutils-libs-1.6-5.fc33.aarch64 krb5-libs-1.18.2-29.fc34.aarch64 libacl-2.2.53-9.fc34.aarch64 libarchive-3.4.3-3.fc33.aarch64 libattr-2.4.48-10.fc33.aarch64 libblkid-2.36-3.fc34.aarch64 libbrotli-1.0.9-3.fc34.aarch64 libcap-2.44-1.fc34.aarch64 libcap-ng-0.8-1.fc34.aarch64 libcom_err-1.45.6-4.fc33.aarch64 libcurl-7.73.0-2.fc34.aarch64 libdb-5.3.28-44.fc33.aarch64 libeconf-0.3.8-4.fc33.aarch64 libfdisk-2.36-3.fc34.aarch64 libffi-3.1-26.fc33.aarch64 libgcc-10.2.1-7.fc34.aarch64 libgcrypt-1.8.6-4.fc34.aarch64 libgomp-10.2.1-7.fc34.aarch64 libgpg-error-1.37-2.fc33.aarch64 libidn2-2.3.0-4.fc33.aarch64 libmetalink-0.1.3-13.fc33.aarch64 libmount-2.36-3.fc34.aarch64 libnghttp2-1.41.0-3.fc33.aarch64 libnsl2-1.3.0-1.fc34.aarch64 libpkgconf-1.7.3-5.fc34.aarch64 libpsl-0.21.1-2.fc33.aarch64 libpwquality-1.4.4-1.fc34.aarch64 libselinux-3.1-4.fc34.aarch64 libsemanage-3.1-4.fc34.aarch64 libsepol-3.1-4.fc34.aarch64 libsigsegv-2.11-11.fc33.aarch64 libsmartcols-2.36-3.fc34.aarch64 libssh-0.9.5-1.fc34.aarch64 libssh-config-0.9.5-1.fc34.noarch libstdc++-10.2.1-7.fc34.aarch64 libtasn1-4.16.0-3.fc33.aarch64 libtirpc-1.2.6-2.rc4.fc33.aarch64 libtool-ltdl-2.4.6-36.fc33.aarch64 libunistring-0.9.10-9.fc33.aarch64 libutempter-1.2.1-3.fc34.aarch64 libuuid-2.36-3.fc34.aarch64 libverto-0.3.0-11.fc34.aarch64 libxcrypt-4.4.17-1.fc34.aarch64 libxml2-2.9.10-7.fc34.aarch64 libzstd-1.4.5-6.fc34.aarch64 lua-libs-5.4.1-1.fc34.aarch64 lua-srpm-macros-1-2.fc34.noarch lz4-libs-1.9.1-3.fc33.aarch64 make-1:4.3-2.fc33.aarch64 mpfr-4.1.0-2.fc33.aarch64 ncurses-base-6.2-3.20200222.fc33.noarch ncurses-libs-6.2-3.20200222.fc33.aarch64 nim-srpm-macros-3-3.fc33.noarch ocaml-srpm-macros-6-3.fc33.noarch openblas-srpm-macros-2-8.fc33.noarch openldap-2.4.55-1.fc34.aarch64 openssl-libs-1:1.1.1g-15.fc33.aarch64 p11-kit-0.23.21-2.fc34.aarch64 p11-kit-trust-0.23.21-2.fc34.aarch64 pam-1.4.0-7.fc34.aarch64 patch-2.7.6-13.fc33.aarch64 pcre-8.44-2.fc34.aarch64 pcre2-10.35-8.fc34.aarch64 pcre2-syntax-10.35-8.fc34.noarch perl-srpm-macros-1-38.fc33.noarch pkgconf-1.7.3-5.fc34.aarch64 pkgconf-m4-1.7.3-5.fc34.noarch pkgconf-pkg-config-1.7.3-5.fc34.aarch64 popt-1.18-2.fc33.aarch64 publicsuffix-list-dafsa-20190417-4.fc33.noarch python-srpm-macros-3.9-10.fc34.noarch qt5-srpm-macros-5.15.1-1.fc34.noarch readline-8.0-5.fc33.aarch64 redhat-rpm-config-177-1.fc34.noarch rpm-4.16.0-3.fc34.aarch64 rpm-build-4.16.0-3.fc34.aarch64 rpm-build-libs-4.16.0-3.fc34.aarch64 rpm-libs-4.16.0-3.fc34.aarch64 rust-srpm-macros-15-2.fc33.noarch sed-4.8-6.fc34.aarch64 setup-2.13.7-2.fc33.noarch shadow-utils-2:4.8.1-5.fc34.aarch64 sqlite-libs-3.33.0-2.fc34.aarch64 systemd-libs-246.6-3.fc34.aarch64 tar-2:1.32-6.fc33.aarch64 tzdata-2020d-1.fc34.noarch unzip-6.0-49.fc33.aarch64 util-linux-2.36-3.fc34.aarch64 which-2.21-20.fc33.aarch64 xxhash-libs-0.8.0-1.fc33.aarch64 xz-5.2.5-3.fc33.aarch64 xz-libs-5.2.5-3.fc33.aarch64 zip-3.0-27.fc33.aarch64 zlib-1.2.11-22.fc33.aarch64 zstd-1.4.5-6.fc34.aarch64 Complete! Finish: dnf install Start: creating root cache Finish: creating root cache Finish: chroot init INFO: Installed packages: INFO: gmp-6.2.0-5.fc34.aarch64 setup-2.13.7-2.fc33.noarch gpg-pubkey-9570ff31-5e3006fb libnghttp2-1.41.0-3.fc33.aarch64 krb5-libs-1.18.2-29.fc34.aarch64 xxhash-libs-0.8.0-1.fc33.aarch64 elfutils-libelf-0.182-1.fc34.aarch64 libselinux-3.1-4.fc34.aarch64 python-srpm-macros-3.9-10.fc34.noarch glibc-common-2.32.9000-14.fc34.aarch64 readline-8.0-5.fc33.aarch64 basesystem-11-10.fc33.noarch go-srpm-macros-3.0.9-1.fc34.noarch sqlite-libs-3.33.0-2.fc34.aarch64 fedora-gpg-keys-34-0.8.noarch guile22-2.2.6-6.fc34.aarch64 pkgconf-m4-1.7.3-5.fc34.noarch popt-1.18-2.fc33.aarch64 gzip-1.10-3.fc33.aarch64 libgcc-10.2.1-7.fc34.aarch64 gnat-srpm-macros-4-12.fc33.noarch elfutils-libs-0.182-1.fc34.aarch64 publicsuffix-list-dafsa-20190417-4.fc33.noarch fedora-release-34-0.9.noarch lua-srpm-macros-1-2.fc34.noarch libbrotli-1.0.9-3.fc34.aarch64 curl-7.73.0-2.fc34.aarch64 gc-8.0.4-4.fc33.aarch64 ghc-srpm-macros-1.5.0-3.fc33.noarch bash-5.0.17-2.fc33.aarch64 libsepol-3.1-4.fc34.aarch64 xz-libs-5.2.5-3.fc33.aarch64 qt5-srpm-macros-5.15.1-1.fc34.noarch fedora-release-identity-basic-34-0.9.noarch unzip-6.0-49.fc33.aarch64 grep-3.5-1.fc34.aarch64 sed-4.8-6.fc34.aarch64 libfdisk-2.36-3.fc34.aarch64 libffi-3.1-26.fc33.aarch64 ca-certificates-2020.2.41-4.fc33.noarch lz4-libs-1.9.1-3.fc33.aarch64 bzip2-1.0.8-4.fc33.aarch64 cpio-2.13-8.fc33.aarch64 fedora-release-common-34-0.9.noarch pcre2-syntax-10.35-8.fc34.noarch libverto-0.3.0-11.fc34.aarch64 which-2.21-20.fc33.aarch64 fonts-srpm-macros-2.0.5-4.fc33.noarch file-5.39-3.fc34.aarch64 libattr-2.4.48-10.fc33.aarch64 elfutils-debuginfod-client-0.182-1.fc34.aarch64 perl-srpm-macros-1-38.fc33.noarch rust-srpm-macros-15-2.fc33.noarch rpm-libs-4.16.0-3.fc34.aarch64 fedora-repos-34-0.8.noarch libcurl-7.73.0-2.fc34.aarch64 ncurses-base-6.2-3.20200222.fc33.noarch bzip2-libs-1.0.8-4.fc33.aarch64 libuuid-2.36-3.fc34.aarch64 patch-2.7.6-13.fc33.aarch64 libxml2-2.9.10-7.fc34.aarch64 redhat-rpm-config-177-1.fc34.noarch elfutils-0.182-1.fc34.aarch64 libutempter-1.2.1-3.fc34.aarch64 ed-1.14.2-9.fc33.aarch64 libidn2-2.3.0-4.fc33.aarch64 keyutils-libs-1.6-5.fc33.aarch64 libgomp-10.2.1-7.fc34.aarch64 zlib-1.2.11-22.fc33.aarch64 libdb-5.3.28-44.fc33.aarch64 binutils-gold-2.35.1-13.fc34.aarch64 coreutils-common-8.32-14.fc34.aarch64 make-4.3-2.fc33.aarch64 libunistring-0.9.10-9.fc33.aarch64 tzdata-2020d-1.fc34.noarch fpc-srpm-macros-1.3-2.fc33.noarch glibc-2.32.9000-14.fc34.aarch64 kernel-srpm-macros-1.0-3.fc33.noarch libcom_err-1.45.6-4.fc33.aarch64 pkgconf-pkg-config-1.7.3-5.fc34.aarch64 libssh-config-0.9.5-1.fc34.noarch rpm-build-libs-4.16.0-3.fc34.aarch64 libarchive-3.4.3-3.fc33.aarch64 xz-5.2.5-3.fc33.aarch64 mpfr-4.1.0-2.fc33.aarch64 libpkgconf-1.7.3-5.fc34.aarch64 gdb-minimal-10.1-1.fc34.aarch64 filesystem-3.14-4.fc34.aarch64 libcap-2.44-1.fc34.aarch64 p11-kit-0.23.21-2.fc34.aarch64 info-6.7-8.fc33.aarch64 dwz-0.13-4.fc33.aarch64 libsmartcols-2.36-3.fc34.aarch64 findutils-4.7.0-7.fc33.aarch64 openblas-srpm-macros-2-8.fc33.noarch pam-1.4.0-7.fc34.aarch64 shadow-utils-4.8.1-5.fc34.aarch64 lua-libs-5.4.1-1.fc34.aarch64 libcap-ng-0.8-1.fc34.aarch64 glibc-minimal-langpack-2.32.9000-14.fc34.aarch64 pkgconf-1.7.3-5.fc34.aarch64 util-linux-2.36-3.fc34.aarch64 binutils-2.35.1-13.fc34.aarch64 nim-srpm-macros-3-3.fc33.noarch systemd-libs-246.6-3.fc34.aarch64 libssh-0.9.5-1.fc34.aarch64 gpg-pubkey-45719a39-5f2c0192 rpm-build-4.16.0-3.fc34.aarch64 libtirpc-1.2.6-2.rc4.fc33.aarch64 openssl-libs-1.1.1g-15.fc33.aarch64 libmount-2.36-3.fc34.aarch64 libpwquality-1.4.4-1.fc34.aarch64 libacl-2.2.53-9.fc34.aarch64 pcre2-10.35-8.fc34.aarch64 openldap-2.4.55-1.fc34.aarch64 ocaml-srpm-macros-6-3.fc33.noarch zstd-1.4.5-6.fc34.aarch64 fedora-repos-rawhide-34-0.8.noarch expat-2.2.8-3.fc33.aarch64 zip-3.0-27.fc33.aarch64 audit-libs-3.0-0.21.20191104git1c2f876.fc33.aarch64 p11-kit-trust-0.23.21-2.fc34.aarch64 elfutils-default-yama-scope-0.182-1.fc34.noarch gawk-5.1.0-2.fc33.aarch64 libblkid-2.36-3.fc34.aarch64 efi-srpm-macros-4-5.fc33.noarch ncurses-libs-6.2-3.20200222.fc33.aarch64 alternatives-1.14-3.fc33.aarch64 libmetalink-0.1.3-13.fc33.aarch64 crypto-policies-20200918-1.git85dccc5.fc34.noarch libpsl-0.21.1-2.fc33.aarch64 cracklib-2.9.6-24.fc33.aarch64 libtool-ltdl-2.4.6-36.fc33.aarch64 pcre-8.44-2.fc34.aarch64 libnsl2-1.3.0-1.fc34.aarch64 coreutils-8.32-14.fc34.aarch64 libsigsegv-2.11-11.fc33.aarch64 cyrus-sasl-lib-2.1.27-6.fc33.aarch64 libstdc++-10.2.1-7.fc34.aarch64 tar-1.32-6.fc33.aarch64 diffutils-3.7-7.fc34.aarch64 libgcrypt-1.8.6-4.fc34.aarch64 libgpg-error-1.37-2.fc33.aarch64 libzstd-1.4.5-6.fc34.aarch64 file-libs-5.39-3.fc34.aarch64 libsemanage-3.1-4.fc34.aarch64 libxcrypt-4.4.17-1.fc34.aarch64 libtasn1-4.16.0-3.fc33.aarch64 rpm-4.16.0-3.fc34.aarch64 libeconf-0.3.8-4.fc33.aarch64 Start: buildsrpm Start: rpmbuild -bs sh: perl: command not found warning: Macro expanded in comment on line 18: %(echo %{version} | tr '.' '-').tar.gz sh: /usr/bin/perl: No such file or directory Building target platforms: aarch64 Building for target aarch64 setting SOURCE_DATE_EPOCH=1604793600 Wrote: /builddir/build/SRPMS/openbabel-3.1.1-4.20201103git9c001b5.fc34.src.rpm Finish: rpmbuild -bs INFO: chroot_scan: 3 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-rawhide-aarch64-1605003826.552645/root/var/log/dnf.rpm.log /var/lib/mock/fedora-rawhide-aarch64-1605003826.552645/root/var/log/dnf.librepo.log /var/lib/mock/fedora-rawhide-aarch64-1605003826.552645/root/var/log/dnf.log Finish: buildsrpm INFO: Done(/tmp/copr-rpmbuild-8tcprn_y/openbabel.spec) Config(child) 2 minutes 3 seconds INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results INFO: Cleaning up build root ('cleanup_on_success=True') Start: clean chroot INFO: unmounting tmpfs. Finish: clean chroot Finish: run INFO: unmounting tmpfs. Running (timeout=108000): unbuffer mock --rebuild /var/lib/copr-rpmbuild/results/openbabel-3.1.1-4.20201103git9c001b5.fc34.src.rpm --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1605003952.913057 -r /var/lib/copr-rpmbuild/results/configs/child.cfg INFO: mock.py version 2.6 starting (python version = 3.9.0)... Start(bootstrap): init plugins INFO: tmpfs initialized INFO: selinux enabled INFO: chroot_scan: initialized INFO: compress_logs: initialized Finish(bootstrap): init plugins Start: init plugins INFO: tmpfs initialized INFO: selinux enabled INFO: chroot_scan: initialized INFO: compress_logs: initialized Finish: init plugins INFO: Signal handler active Start: run INFO: Start(/var/lib/copr-rpmbuild/results/openbabel-3.1.1-4.20201103git9c001b5.fc34.src.rpm) Config(fedora-rawhide-aarch64) Start: clean chroot Finish: clean chroot Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-aarch64-bootstrap-1605003952.913057/root. INFO: calling preinit hooks INFO: enabled root cache Start(bootstrap): unpacking root cache Finish(bootstrap): unpacking root cache INFO: enabled package manager cache Start(bootstrap): cleaning package manager metadata Finish(bootstrap): cleaning package manager metadata INFO: enabled HW Info plugin Mock Version: 2.6 INFO: Mock Version: 2.6 Finish(bootstrap): chroot init Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-aarch64-1605003952.913057/root. INFO: calling preinit hooks INFO: enabled root cache Start: unpacking root cache Finish: unpacking root cache INFO: enabled package manager cache Start: cleaning package manager metadata Finish: cleaning package manager metadata INFO: enabled HW Info plugin Mock Version: 2.6 INFO: Mock Version: 2.6 Start: dnf update No matches found for the following disable plugin patterns: local, spacewalk Copr repository 61 kB/s | 3.3 kB 00:00 fedora 75 kB/s | 11 kB 00:00 Dependencies resolved. Nothing to do. Complete! Finish: dnf update Finish: chroot init Start: build phase for openbabel-3.1.1-4.20201103git9c001b5.fc34.src.rpm Start: build setup for openbabel-3.1.1-4.20201103git9c001b5.fc34.src.rpm sh: perl: command not found warning: Macro expanded in comment on line 18: %(echo %{version} | tr '.' '-').tar.gz sh: /usr/bin/perl: No such file or directory Building target platforms: aarch64 Building for target aarch64 setting SOURCE_DATE_EPOCH=1604793600 Wrote: /builddir/build/SRPMS/openbabel-3.1.1-4.20201103git9c001b5.fc34.src.rpm No matches found for the following disable plugin patterns: local, spacewalk Copr repository 125 kB/s | 3.3 kB 00:00 fedora 370 kB/s | 11 kB 00:00 Dependencies resolved. ================================================================================================= Package Arch Version Repo Size ================================================================================================= Installing: [1mImageMagick [m aarch64 1:6.9.11.27-1.fc33 fedora 162 k [1mcmake [m aarch64 3.18.3-1.fc34 fedora 5.0 M [1mdesktop-file-utils [m aarch64 0.26-2.fc33 fedora 72 k [1mdos2unix [m aarch64 7.4.2-1.fc34 fedora 234 k [1meigen3-devel [m noarch 3.3.8-2.fc34 fedora 885 k [1mgcc-c++ [m aarch64 10.2.1-7.fc34 fedora 11 M [1minchi-devel [m aarch64 1.0.5-10.fc33 fedora 23 k [1mlibxml2-devel [m aarch64 2.9.10-7.fc34 fedora 852 k [1mperl-devel [m aarch64 4:5.32.0-465.fc34 fedora 676 k [1mperl-generators [m noarch 1.11-9.fc33 fedora 16 k [1mpython3-devel [m aarch64 3.9.0-1.fc34 fedora 205 k [1mrapidjson-devel [m aarch64 1.1.0-15.fc34 fedora 109 k [1mruby-devel [m aarch64 2.7.2-135.fc34 fedora 201 k [1mswig [m aarch64 4.0.2-3.fc34 fedora 1.4 M [1mwxGTK3-devel [m aarch64 3.0.5.1-2.fc33 fedora 32 k Installing dependencies: [1mImageMagick-libs [m aarch64 1:6.9.11.27-1.fc33 fedora 2.2 M [1mLibRaw [m aarch64 0.20.2-1.fc34 fedora 391 k [1mOpenEXR-libs [m aarch64 2.3.0-6.fc33 fedora 750 k [1mSDL2 [m aarch64 2.0.12-4.fc33 fedora 481 k [1macl [m aarch64 2.2.53-9.fc34 fedora 71 k [1madobe-mappings-cmap [m noarch 20171205-9.fc33 fedora 1.9 M [1madobe-mappings-cmap-deprecated [m noarch 20171205-9.fc33 fedora 109 k [1madobe-mappings-pdf [m noarch 20180407-7.fc33 fedora 668 k [1madwaita-cursor-theme [m noarch 3.38.0-1.fc34 fedora 623 k [1madwaita-icon-theme [m noarch 3.38.0-1.fc34 fedora 11 M [1malsa-lib [m aarch64 1.2.4-4.fc34 fedora 463 k [1mannobin [m aarch64 9.38-1.fc34 fedora 129 k [1mat-spi2-atk [m aarch64 2.38.0-1.fc34 fedora 89 k [1mat-spi2-atk-devel [m aarch64 2.38.0-1.fc34 fedora 9.9 k [1mat-spi2-core [m aarch64 2.38.0-2.fc34 fedora 172 k [1mat-spi2-core-devel [m aarch64 2.38.0-2.fc34 fedora 130 k [1matk [m aarch64 2.36.0-2.fc33 fedora 272 k [1matk-devel [m aarch64 2.36.0-2.fc33 fedora 174 k [1mavahi-libs [m aarch64 0.8-6.fc34 fedora 65 k [1mbrotli [m aarch64 1.0.9-3.fc34 fedora 321 k [1mbrotli-devel [m aarch64 1.0.9-3.fc34 fedora 32 k [1mbubblewrap [m aarch64 0.4.1-2.fc33 fedora 49 k [1mbzip2-devel [m aarch64 1.0.8-4.fc33 fedora 214 k [1mcairo [m aarch64 1.16.0-9.fc33 fedora 679 k [1mcairo-devel [m aarch64 1.16.0-9.fc33 fedora 241 k [1mcairo-gobject [m aarch64 1.16.0-9.fc33 fedora 19 k [1mcairo-gobject-devel [m aarch64 1.16.0-9.fc33 fedora 10 k [1mcdparanoia-libs [m aarch64 10.2-35.fc34 fedora 53 k [1mcmake-data [m noarch 3.18.3-1.fc34 fedora 1.5 M [1mcmake-filesystem [m aarch64 3.18.3-1.fc34 fedora 16 k [1mcmake-rpm-macros [m noarch 3.18.3-1.fc34 fedora 15 k [1mcolord-libs [m aarch64 1.4.5-1.fc34 fedora 230 k [1mcpp [m aarch64 10.2.1-7.fc34 fedora 9.3 M [1mcryptsetup-libs [m aarch64 2.3.4-1.fc34 fedora 472 k [1mcups-libs [m aarch64 1:2.3.3-17.fc34 fedora 275 k [1mdbus [m aarch64 1:1.12.20-2.fc33 fedora 9.9 k [1mdbus-broker [m aarch64 24-1.fc34 fedora 167 k [1mdbus-common [m noarch 1:1.12.20-2.fc33 fedora 17 k [1mdbus-devel [m aarch64 1:1.12.20-2.fc33 fedora 36 k [1mdbus-libs [m aarch64 1:1.12.20-2.fc33 fedora 151 k [1mdejavu-sans-fonts [m noarch 2.37-15.fc34 fedora 1.3 M [1mdevice-mapper [m aarch64 1.02.173-1.fc33 fedora 140 k [1mdevice-mapper-libs [m aarch64 1.02.173-1.fc33 fedora 173 k [1memacs-filesystem [m noarch 1:27.1-2.fc34 fedora 8.2 k [1menchant2 [m aarch64 2.2.13-1.fc34 fedora 62 k [1mfftw-libs-double [m aarch64 3.3.8-9.fc34 fedora 615 k [1mfontconfig [m aarch64 2.13.92-12.fc33 fedora 273 k [1mfontconfig-devel [m aarch64 2.13.92-12.fc33 fedora 129 k [1mfonts-filesystem [m noarch 1:2.0.5-4.fc33 fedora 8.7 k [1mfreetype [m aarch64 2.10.4-1.fc34 fedora 388 k [1mfreetype-devel [m aarch64 2.10.4-1.fc34 fedora 1.1 M [1mfribidi [m aarch64 1.0.10-3.fc33 fedora 85 k [1mfribidi-devel [m aarch64 1.0.10-3.fc33 fedora 25 k [1mgcc [m aarch64 10.2.1-7.fc34 fedora 28 M [1mgd [m aarch64 2.3.0-3.fc33 fedora 135 k [1mgdbm-libs [m aarch64 1:1.18.1-5.fc33 fedora 53 k [1mgdk-pixbuf2 [m aarch64 2.40.0-3.fc33 fedora 461 k [1mgdk-pixbuf2-devel [m aarch64 2.40.0-3.fc33 fedora 213 k [1mgdk-pixbuf2-modules [m aarch64 2.40.0-3.fc33 fedora 96 k [1mgettext [m aarch64 0.21-3.fc34 fedora 1.1 M [1mgettext-libs [m aarch64 0.21-3.fc34 fedora 298 k [1mgl-manpages [m noarch 1.1-21.20190306.fc33 fedora 1.0 M [1mglib-networking [m aarch64 2.66.0-1.fc34 fedora 160 k [1mglib2 [m aarch64 2.67.0-2.fc34 fedora 2.6 M [1mglib2-devel [m aarch64 2.67.0-2.fc34 fedora 470 k [1mglibc-devel [m aarch64 2.32.9000-14.fc34 fedora 1.4 M [1mgnutls [m aarch64 3.6.15-2.fc34 fedora 889 k [1mgoogle-droid-sans-fonts [m noarch 20200215-8.fc34 fedora 2.7 M [1mgraphene [m aarch64 1.10.2-5.fc34 fedora 98 k [1mgraphite2 [m aarch64 1.3.14-6.fc34 fedora 92 k [1mgraphite2-devel [m aarch64 1.3.14-6.fc34 fedora 21 k [1mgraphviz [m aarch64 2.44.0-14.fc34 fedora 3.3 M [1mgroff-base [m aarch64 1.22.4-4.fc34 fedora 1.0 M [1mgsettings-desktop-schemas [m aarch64 3.38.0-1.fc34 fedora 681 k [1mgstreamer1 [m aarch64 1.18.1-1.fc34 fedora 1.3 M [1mgstreamer1-plugins-base [m aarch64 1.18.1-1.fc34 fedora 2.0 M [1mgtk-update-icon-cache [m aarch64 3.24.23-1.fc34 fedora 33 k [1mgtk2 [m aarch64 2.24.32-8.fc33 fedora 3.5 M [1mgtk3 [m aarch64 3.24.23-1.fc34 fedora 4.7 M [1mgtk3-devel [m aarch64 3.24.23-1.fc34 fedora 4.3 M [1mgts [m aarch64 0.7.6-38.20121130.fc33 fedora 230 k [1mharfbuzz [m aarch64 2.7.2-1.fc34 fedora 636 k [1mharfbuzz-devel [m aarch64 2.7.2-1.fc34 fedora 271 k [1mharfbuzz-icu [m aarch64 2.7.2-1.fc34 fedora 15 k [1mhicolor-icon-theme [m noarch 0.17-9.fc33 fedora 44 k [1mhunspell [m aarch64 1.7.0-7.fc33 fedora 324 k [1mhunspell-en-US [m noarch 0.20140811.1-17.fc33 fedora 176 k [1mhyphen [m aarch64 2.8.8-14.fc33 fedora 29 k [1milmbase [m aarch64 2.3.0-5.fc33 fedora 125 k [1minchi-libs [m aarch64 1.0.5-10.fc33 fedora 535 k [1miptables-libs [m aarch64 1.8.6-1.fc34 fedora 373 k [1misl [m aarch64 0.16.1-12.fc33 fedora 844 k [1miso-codes [m noarch 4.5.0-2.fc33 fedora 3.4 M [1mjasper-libs [m aarch64 2.0.22-1.fc34 fedora 150 k [1mjbig2dec-libs [m aarch64 0.19-2.fc34 fedora 72 k [1mjbigkit-libs [m aarch64 2.1-20.fc34 fedora 52 k [1mjson-c [m aarch64 0.14-7.fc33 fedora 41 k [1mjson-glib [m aarch64 1.6.0-1.fc34 fedora 147 k [1mjsoncpp [m aarch64 1.9.4-2.fc34 fedora 91 k [1mkernel-headers [m aarch64 5.10.0-0.rc2.git0.1.fc34 fedora 1.2 M [1mkmod-libs [m aarch64 27-3.fc33 fedora 62 k [1mlangpacks-core-font-en [m noarch 3.0-5.fc34 fedora 9.7 k [1mlasi [m aarch64 1.1.3-4.fc33 fedora 54 k [1mlcms2 [m aarch64 2.11-2.fc33 fedora 168 k [1mlibICE [m aarch64 1.0.10-4.fc33 fedora 70 k [1mlibSM [m aarch64 1.2.3-6.fc33 fedora 41 k [1mlibX11 [m aarch64 1.6.12-3.fc34 fedora 653 k [1mlibX11-common [m noarch 1.6.12-3.fc34 fedora 153 k [1mlibX11-devel [m aarch64 1.6.12-3.fc34 fedora 941 k [1mlibX11-xcb [m aarch64 1.6.12-3.fc34 fedora 11 k [1mlibXau [m aarch64 1.0.9-5.fc34 fedora 31 k [1mlibXau-devel [m aarch64 1.0.9-5.fc34 fedora 13 k [1mlibXaw [m aarch64 1.0.13-16.fc34 fedora 198 k [1mlibXcomposite [m aarch64 0.4.5-4.fc34 fedora 23 k [1mlibXcomposite-devel [m aarch64 0.4.5-4.fc34 fedora 16 k [1mlibXcursor [m aarch64 1.2.0-4.fc34 fedora 30 k [1mlibXcursor-devel [m aarch64 1.2.0-4.fc34 fedora 22 k [1mlibXdamage [m aarch64 1.1.5-4.fc34 fedora 22 k [1mlibXdamage-devel [m aarch64 1.1.5-4.fc34 fedora 9.2 k [1mlibXext [m aarch64 1.3.4-5.fc34 fedora 38 k [1mlibXext-devel [m aarch64 1.3.4-5.fc34 fedora 73 k [1mlibXfixes [m aarch64 5.0.3-13.fc34 fedora 19 k [1mlibXfixes-devel [m aarch64 5.0.3-13.fc34 fedora 12 k [1mlibXft [m aarch64 2.3.3-5.fc34 fedora 61 k [1mlibXft-devel [m aarch64 2.3.3-5.fc34 fedora 18 k [1mlibXi [m aarch64 1.7.10-5.fc34 fedora 37 k [1mlibXi-devel [m aarch64 1.7.10-5.fc34 fedora 100 k [1mlibXinerama [m aarch64 1.1.4-7.fc34 fedora 14 k [1mlibXinerama-devel [m aarch64 1.1.4-7.fc34 fedora 13 k [1mlibXmu [m aarch64 1.1.3-5.fc34 fedora 75 k [1mlibXpm [m aarch64 3.5.13-3.fc33 fedora 58 k [1mlibXrandr [m aarch64 1.5.2-5.fc34 fedora 27 k [1mlibXrandr-devel [m aarch64 1.5.2-5.fc34 fedora 19 k [1mlibXrender [m aarch64 0.9.10-13.fc34 fedora 26 k [1mlibXrender-devel [m aarch64 0.9.10-13.fc34 fedora 16 k [1mlibXt [m aarch64 1.2.0-3.fc34 fedora 179 k [1mlibXtst [m aarch64 1.2.3-12.fc33 fedora 20 k [1mlibXtst-devel [m aarch64 1.2.3-12.fc33 fedora 15 k [1mlibXv [m aarch64 1.0.11-13.fc34 fedora 18 k [1mlibXxf86vm [m aarch64 1.1.4-15.fc34 fedora 18 k [1mlibargon2 [m aarch64 20171227-5.fc33 fedora 28 k [1mlibasan [m aarch64 10.2.1-7.fc34 fedora 403 k [1mlibatomic [m aarch64 10.2.1-7.fc34 fedora 43 k [1mlibblkid-devel [m aarch64 2.36-3.fc34 fedora 17 k [1mlibcbor [m aarch64 0.7.0-2.fc34 fedora 56 k [1mlibdatrie [m aarch64 0.2.9-13.fc34 fedora 31 k [1mlibdatrie-devel [m aarch64 0.2.9-13.fc34 fedora 127 k [1mlibdrm [m aarch64 2.4.103-1.fc34 fedora 131 k [1mlibepoxy [m aarch64 1.5.4-3.fc33 fedora 266 k [1mlibepoxy-devel [m aarch64 1.5.4-3.fc33 fedora 134 k [1mlibevent [m aarch64 2.1.12-2.fc34 fedora 259 k [1mlibffi-devel [m aarch64 3.1-26.fc33 fedora 23 k [1mlibfido2 [m aarch64 1.5.0-2.fc34 fedora 66 k [1mlibfontenc [m aarch64 1.1.3-13.fc33 fedora 30 k [1mlibglvnd [m aarch64 1:1.3.2-2.fc33 fedora 128 k [1mlibglvnd-core-devel [m aarch64 1:1.3.2-2.fc33 fedora 18 k [1mlibglvnd-devel [m aarch64 1:1.3.2-2.fc33 fedora 156 k [1mlibglvnd-egl [m aarch64 1:1.3.2-2.fc33 fedora 37 k [1mlibglvnd-gles [m aarch64 1:1.3.2-2.fc33 fedora 34 k [1mlibglvnd-glx [m aarch64 1:1.3.2-2.fc33 fedora 147 k [1mlibglvnd-opengl [m aarch64 1:1.3.2-2.fc33 fedora 46 k [1mlibgs [m aarch64 9.53.3-2.fc34 fedora 3.0 M [1mlibgusb [m aarch64 0.3.5-1.fc33 fedora 48 k [1mlibibverbs-core [m aarch64 32.0-1.fc34 fedora 71 k [1mlibicu [m aarch64 67.1-4.fc33 fedora 9.7 M [1mlibicu-devel [m aarch64 67.1-4.fc33 fedora 830 k [1mlibijs [m aarch64 0.35-12.fc33 fedora 29 k [1mlibimagequant [m aarch64 2.13.0-1.fc34 fedora 63 k [1mlibjpeg-turbo [m aarch64 2.0.5-5.fc33 fedora 155 k [1mliblqr-1 [m aarch64 0.4.2-15.fc33 fedora 47 k [1mlibmcpp [m aarch64 2.7.2-26.fc33 fedora 79 k [1mlibmnl [m aarch64 1.0.4-12.fc33 fedora 27 k [1mlibmodman [m aarch64 2.0.1-23.fc33 fedora 33 k [1mlibmount-devel [m aarch64 2.36-3.fc34 fedora 18 k [1mlibmpc [m aarch64 1.1.0-9.fc33 fedora 60 k [1mlibmspack [m aarch64 0.10.1-0.4.alpha.fc33 fedora 67 k [1mlibnetfilter_conntrack [m aarch64 1.0.7-5.fc33 fedora 61 k [1mlibnfnetlink [m aarch64 1.0.1-18.fc33 fedora 29 k [1mlibnl3 [m aarch64 3.5.0-5.fc33 fedora 316 k [1mlibnotify [m aarch64 0.7.9-3.fc33 fedora 42 k [1mlibogg [m aarch64 2:1.3.4-3.fc33 fedora 32 k [1mlibpaper [m aarch64 1.1.28-1.fc34 fedora 41 k [1mlibpcap [m aarch64 14:1.9.1-6.fc34 fedora 170 k [1mlibpng [m aarch64 2:1.6.37-6.fc34 fedora 115 k [1mlibpng-devel [m aarch64 2:1.6.37-6.fc34 fedora 291 k [1mlibproxy [m aarch64 0.4.15-27.fc34 fedora 63 k [1mlibraqm [m aarch64 0.7.0-6.fc33 fedora 19 k [1mlibrsvg2 [m aarch64 2.50.1-1.fc34 fedora 3.0 M [1mlibseccomp [m aarch64 2.5.0-3.fc33 fedora 72 k [1mlibsecret [m aarch64 0.20.3-2.fc33 fedora 160 k [1mlibselinux-devel [m aarch64 3.1-4.fc34 fedora 113 k [1mlibsepol-devel [m aarch64 3.1-4.fc34 fedora 40 k [1mlibsoup [m aarch64 2.72.0-3.fc34 fedora 391 k [1mlibstdc++-devel [m aarch64 10.2.1-7.fc34 fedora 2.0 M [1mlibtextstyle [m aarch64 0.21-3.fc34 fedora 88 k [1mlibthai [m aarch64 0.1.28-5.fc33 fedora 209 k [1mlibthai-devel [m aarch64 0.1.28-5.fc33 fedora 119 k [1mlibtheora [m aarch64 1:1.1.1-28.fc33 fedora 158 k [1mlibtiff [m aarch64 4.1.0-5.fc34 fedora 182 k [1mlibubsan [m aarch64 10.2.1-7.fc34 fedora 182 k [1mlibunwind [m aarch64 1.4.0-4.fc34 fedora 67 k [1mlibusbx [m aarch64 1.0.23-2.fc33 fedora 71 k [1mlibuv [m aarch64 1:1.40.0-1.fc34 fedora 148 k [1mlibvisual [m aarch64 1:0.4.0-29.fc33 fedora 142 k [1mlibvorbis [m aarch64 1:1.3.7-2.fc33 fedora 195 k [1mlibwayland-client [m aarch64 1.18.0-2.fc33 fedora 32 k [1mlibwayland-cursor [m aarch64 1.18.0-2.fc33 fedora 19 k [1mlibwayland-egl [m aarch64 1.18.0-2.fc33 fedora 12 k [1mlibwayland-server [m aarch64 1.18.0-2.fc33 fedora 41 k [1mlibwebp [m aarch64 1.1.0-5.fc33 fedora 262 k [1mlibwmf-lite [m aarch64 0.2.12-4.fc33 fedora 72 k [1mlibwpe [m aarch64 1.8.0-1.fc34 fedora 26 k [1mlibxcb [m aarch64 1.13.1-6.fc34 fedora 231 k [1mlibxcb-devel [m aarch64 1.13.1-6.fc34 fedora 1.0 M [1mlibxcrypt-devel [m aarch64 4.4.17-1.fc34 fedora 32 k [1mlibxkbcommon [m aarch64 1.0.1-1.fc34 fedora 134 k [1mlibxkbcommon-devel [m aarch64 1.0.1-1.fc34 fedora 62 k [1mlibxshmfence [m aarch64 1.3-7.fc33 fedora 12 k [1mlibxslt [m aarch64 1.1.34-4.fc34 fedora 240 k [1mlibyaml [m aarch64 0.2.5-3.fc33 fedora 60 k [1mmcpp [m aarch64 2.7.2-26.fc33 fedora 27 k [1mmesa-libEGL [m aarch64 20.2.2-1.fc34 fedora 121 k [1mmesa-libGL [m aarch64 20.2.2-1.fc34 fedora 190 k [1mmesa-libGLU [m aarch64 9.0.1-3.fc33 fedora 136 k [1mmesa-libGLU-devel [m aarch64 9.0.1-3.fc33 fedora 12 k [1mmesa-libgbm [m aarch64 20.2.2-1.fc34 fedora 44 k [1mmesa-libglapi [m aarch64 20.2.2-1.fc34 fedora 71 k [1mncurses [m aarch64 6.2-3.20200222.fc33 fedora 394 k [1mnetpbm [m aarch64 10.92.00-1.fc34 fedora 184 k [1mnettle [m aarch64 3.6-3.fc33 fedora 423 k [1mopenjpeg2 [m aarch64 2.3.1-7.fc33 fedora 151 k [1mopus [m aarch64 1.3.1-7.fc34 fedora 196 k [1morc [m aarch64 0.4.31-3.fc33 fedora 181 k [1mpango [m aarch64 1.47.0-1.fc34 fedora 294 k [1mpango-devel [m aarch64 1.47.0-1.fc34 fedora 338 k [1mpcre-cpp [m aarch64 8.44-2.fc34 fedora 26 k [1mpcre-devel [m aarch64 8.44-2.fc34 fedora 471 k [1mpcre-utf16 [m aarch64 8.44-2.fc34 fedora 168 k [1mpcre-utf32 [m aarch64 8.44-2.fc34 fedora 159 k [1mpcre2-devel [m aarch64 10.35-8.fc34 fedora 473 k [1mpcre2-utf16 [m aarch64 10.35-8.fc34 fedora 194 k [1mpcre2-utf32 [m aarch64 10.35-8.fc34 fedora 185 k [1mperl-AutoSplit [m noarch 5.74-465.fc34 fedora 34 k [1mperl-B [m aarch64 1.80-465.fc34 fedora 194 k [1mperl-Benchmark [m noarch 1.23-465.fc34 fedora 39 k [1mperl-Carp [m noarch 1.50-457.fc33 fedora 29 k [1mperl-Class-Struct [m noarch 0.66-465.fc34 fedora 35 k [1mperl-Data-Dumper [m aarch64 2.174-459.fc34 fedora 55 k [1mperl-Devel-PPPort [m aarch64 3.62-1.fc34 fedora 211 k [1mperl-DynaLoader [m aarch64 1.47-465.fc34 fedora 41 k [1mperl-Encode [m aarch64 4:3.07-457.fc33 fedora 1.8 M [1mperl-Errno [m aarch64 1.30-465.fc34 fedora 27 k [1mperl-Exporter [m noarch 5.74-458.fc33 fedora 32 k [1mperl-ExtUtils-Command [m noarch 2:7.52-1.fc34 fedora 14 k [1mperl-ExtUtils-Constant [m noarch 0.25-465.fc34 fedora 59 k [1mperl-ExtUtils-Install [m noarch 2.18-1.fc34 fedora 45 k [1mperl-ExtUtils-MakeMaker [m noarch 2:7.52-1.fc34 fedora 289 k [1mperl-ExtUtils-Manifest [m noarch 1:1.72-457.fc33 fedora 34 k [1mperl-ExtUtils-ParseXS [m noarch 1:3.40-457.fc33 fedora 183 k [1mperl-Fcntl [m aarch64 1.13-465.fc34 fedora 33 k [1mperl-Fedora-VSP [m noarch 0.001-20.fc33 fedora 23 k [1mperl-File-Basename [m noarch 2.85-465.fc34 fedora 30 k [1mperl-File-Compare [m noarch 1.100.600-465.fc34 fedora 26 k [1mperl-File-Copy [m noarch 2.34-465.fc34 fedora 32 k [1mperl-File-Find [m noarch 1.37-465.fc34 fedora 38 k [1mperl-File-Path [m noarch 2.18-1.fc34 fedora 36 k [1mperl-File-Temp [m noarch 1:0.231.100-1.fc34 fedora 60 k [1mperl-File-stat [m noarch 1.09-465.fc34 fedora 30 k [1mperl-Getopt-Long [m noarch 1:2.52-1.fc34 fedora 60 k [1mperl-Getopt-Std [m noarch 1.12-465.fc34 fedora 28 k [1mperl-HTTP-Tiny [m noarch 0.076-457.fc33 fedora 55 k [1mperl-IO [m aarch64 1.43-465.fc34 fedora 99 k [1mperl-IPC-Open3 [m noarch 1.21-465.fc34 fedora 35 k [1mperl-MIME-Base64 [m aarch64 3.16-1.fc34 fedora 30 k [1mperl-POSIX [m aarch64 1.94-465.fc34 fedora 112 k [1mperl-PathTools [m aarch64 3.78-458.fc34 fedora 86 k [1mperl-Pod-Escapes [m noarch 1:1.07-457.fc33 fedora 20 k [1mperl-Pod-Perldoc [m noarch 3.28.01-458.fc33 fedora 84 k [1mperl-Pod-Simple [m noarch 1:3.41-459.fc34 fedora 216 k [1mperl-Pod-Usage [m noarch 4:2.01-1.fc34 fedora 41 k [1mperl-Scalar-List-Utils [m aarch64 4:1.55-457.fc33 fedora 69 k [1mperl-SelectSaver [m noarch 1.02-465.fc34 fedora 24 k [1mperl-Socket [m aarch64 4:2.030-2.fc33 fedora 55 k [1mperl-Storable [m aarch64 1:3.21-457.fc33 fedora 95 k [1mperl-Symbol [m noarch 1.08-465.fc34 fedora 26 k [1mperl-Term-ANSIColor [m noarch 5.01-458.fc33 fedora 49 k [1mperl-Term-Cap [m noarch 1.17-457.fc33 fedora 22 k [1mperl-Test-Harness [m noarch 1:3.42-458.fc33 fedora 269 k [1mperl-Text-ParseWords [m noarch 3.30-457.fc33 fedora 16 k [1mperl-Text-Tabs+Wrap [m noarch 2013.0523-457.fc33 fedora 23 k [1mperl-Time-Local [m noarch 2:1.300-4.fc33 fedora 34 k [1mperl-base [m noarch 2.27-465.fc34 fedora 29 k [1mperl-constant [m noarch 1.33-458.fc33 fedora 23 k [1mperl-if [m noarch 0.60.800-465.fc34 fedora 26 k [1mperl-interpreter [m aarch64 4:5.32.0-465.fc34 fedora 84 k [1mperl-lib [m aarch64 0.65-465.fc34 fedora 27 k [1mperl-libs [m aarch64 4:5.32.0-465.fc34 fedora 2.0 M [1mperl-locale [m noarch 1.09-465.fc34 fedora 26 k [1mperl-macros [m noarch 4:5.32.0-465.fc34 fedora 23 k [1mperl-mro [m aarch64 1.23-465.fc34 fedora 40 k [1mperl-overload [m noarch 1.31-465.fc34 fedora 58 k [1mperl-overloading [m noarch 0.02-465.fc34 fedora 25 k [1mperl-parent [m noarch 1:0.238-457.fc33 fedora 14 k [1mperl-podlators [m noarch 1:4.14-457.fc33 fedora 113 k [1mperl-subs [m noarch 1.03-465.fc34 fedora 24 k [1mperl-vars [m noarch 1.05-465.fc34 fedora 25 k [1mperl-version [m aarch64 7:0.99.28-1.fc34 fedora 62 k [1mpixman [m aarch64 0.40.0-2.fc33 fedora 173 k [1mpixman-devel [m aarch64 0.40.0-2.fc33 fedora 17 k [1mpython-pip-wheel [m noarch 20.2.4-1.fc34 fedora 1.3 M [1mpython-rpm-macros [m noarch 3.9-10.fc34 fedora 15 k [1mpython-setuptools-wheel [m noarch 50.3.2-1.fc34 fedora 471 k [1mpython3 [m aarch64 3.9.0-1.fc34 fedora 28 k [1mpython3-libs [m aarch64 3.9.0-1.fc34 fedora 7.4 M [1mpython3-pyparsing [m noarch 2.4.7-4.fc33 fedora 149 k [1mpython3-rpm-generators [m noarch 11-12.fc34 fedora 29 k [1mpython3-rpm-macros [m noarch 3.9-10.fc34 fedora 13 k [1mpython3-setuptools [m noarch 50.3.2-1.fc34 fedora 760 k [1mqrencode-libs [m aarch64 4.0.2-6.fc33 fedora 60 k [1mrest [m aarch64 0.8.1-8.fc33 fedora 68 k [1mrhash [m aarch64 1.4.0-2.fc33 fedora 184 k [1mruby [m aarch64 2.7.2-135.fc34 fedora 41 k [1mruby-libs [m aarch64 2.7.2-135.fc34 fedora 3.2 M [1mrubygem-openssl [m aarch64 2.1.2-135.fc34 fedora 150 k [1mrubygem-psych [m aarch64 3.1.0-135.fc34 fedora 49 k [1mrubygems [m noarch 3.1.4-201.fc33 fedora 285 k [1mrubypick [m noarch 1.1.1-13.fc33 fedora 9.7 k [1mshared-mime-info [m aarch64 2.0-4.fc34 fedora 308 k [1msystemd [m aarch64 246.6-3.fc34 fedora 3.8 M [1msystemd-pam [m aarch64 246.6-3.fc34 fedora 308 k [1msystemd-rpm-macros [m noarch 246.6-3.fc34 fedora 29 k [1msystemtap-sdt-devel [m aarch64 4.4-0.20200922git05179173e71c.fc34 fedora 70 k [1murw-base35-bookman-fonts [m noarch 20200910-1.fc34 fedora 856 k [1murw-base35-c059-fonts [m noarch 20200910-1.fc34 fedora 884 k [1murw-base35-d050000l-fonts [m noarch 20200910-1.fc34 fedora 77 k [1murw-base35-fonts [m noarch 20200910-1.fc34 fedora 9.6 k [1murw-base35-fonts-common [m noarch 20200910-1.fc34 fedora 20 k [1murw-base35-gothic-fonts [m noarch 20200910-1.fc34 fedora 652 k [1murw-base35-nimbus-mono-ps-fonts [m noarch 20200910-1.fc34 fedora 802 k [1murw-base35-nimbus-roman-fonts [m noarch 20200910-1.fc34 fedora 865 k [1murw-base35-nimbus-sans-fonts [m noarch 20200910-1.fc34 fedora 1.3 M [1murw-base35-p052-fonts [m noarch 20200910-1.fc34 fedora 983 k [1murw-base35-standard-symbols-ps-fonts [m noarch 20200910-1.fc34 fedora 42 k [1murw-base35-z003-fonts [m noarch 20200910-1.fc34 fedora 279 k [1mvim-filesystem [m noarch 2:8.2.1961-1.fc34 fedora 22 k [1mwayland-devel [m aarch64 1.18.0-2.fc33 fedora 132 k [1mwayland-protocols-devel [m noarch 1.20-2.fc33 fedora 74 k [1mwebkit2gtk3 [m aarch64 2.30.2-1.fc34 fedora 16 M [1mwebkit2gtk3-jsc [m aarch64 2.30.2-1.fc34 fedora 6.1 M [1mwoff2 [m aarch64 1.0.2-9.fc33 fedora 58 k [1mwpebackend-fdo [m aarch64 1.8.0-1.fc34 fedora 41 k [1mwxBase3 [m aarch64 3.0.5.1-2.fc33 fedora 912 k [1mwxBase3-devel [m aarch64 3.0.5.1-2.fc33 fedora 1.1 M [1mwxGTK3 [m aarch64 3.0.5.1-2.fc33 fedora 4.1 M [1mwxGTK3-gl [m aarch64 3.0.5.1-2.fc33 fedora 38 k [1mwxGTK3-i18n [m noarch 3.0.5.1-2.fc33 fedora 528 k [1mwxGTK3-media [m aarch64 3.0.5.1-2.fc33 fedora 53 k [1mwxGTK3-webview [m aarch64 3.0.5.1-2.fc33 fedora 58 k [1mxdg-dbus-proxy [m aarch64 0.1.2-3.fc33 fedora 41 k [1mxkeyboard-config [m noarch 2.31-2.fc34 fedora 750 k [1mxml-common [m noarch 0.6.3-55.fc33 fedora 31 k [1mxorg-x11-font-utils [m aarch64 1:7.5-46.fc34 fedora 100 k [1mxorg-x11-fonts-ISO8859-1-100dpi [m noarch 7.5-26.fc34 fedora 1.0 M [1mxorg-x11-proto-devel [m noarch 2019.1-5.fc34 fedora 261 k [1mxorg-x11-server-utils [m aarch64 7.7-37.fc34 fedora 187 k [1mxz-devel [m aarch64 5.2.5-3.fc33 fedora 52 k [1mzlib-devel [m aarch64 1.2.11-22.fc33 fedora 44 k Transaction Summary ================================================================================================= Install 382 Packages Total download size: 226 M Installed size: 822 M Downloading Packages: (1/382): ImageMagick-6.9.11.27-1.fc33.aarch64.r 2.5 MB/s | 162 kB 00:00 (2/382): LibRaw-0.20.2-1.fc34.aarch64.rpm 5.8 MB/s | 391 kB 00:00 (3/382): SDL2-2.0.12-4.fc33.aarch64.rpm 41 MB/s | 481 kB 00:00 (4/382): acl-2.2.53-9.fc34.aarch64.rpm 7.6 MB/s | 71 kB 00:00 (5/382): OpenEXR-libs-2.3.0-6.fc33.aarch64.rpm 22 MB/s | 750 kB 00:00 (6/382): ImageMagick-libs-6.9.11.27-1.fc33.aarc 21 MB/s | 2.2 MB 00:00 (7/382): adobe-mappings-cmap-deprecated-2017120 9.2 MB/s | 109 kB 00:00 (8/382): adobe-mappings-pdf-20180407-7.fc33.noa 18 MB/s | 668 kB 00:00 (9/382): adwaita-cursor-theme-3.38.0-1.fc34.noa 15 MB/s | 623 kB 00:00 (10/382): adobe-mappings-cmap-20171205-9.fc33.n 27 MB/s | 1.9 MB 00:00 (11/382): annobin-9.38-1.fc34.aarch64.rpm 5.8 MB/s | 129 kB 00:00 (12/382): alsa-lib-1.2.4-4.fc34.aarch64.rpm 10 MB/s | 463 kB 00:00 (13/382): at-spi2-atk-2.38.0-1.fc34.aarch64.rpm 2.7 MB/s | 89 kB 00:00 (14/382): adwaita-icon-theme-3.38.0-1.fc34.noar 97 MB/s | 11 MB 00:00 (15/382): at-spi2-atk-devel-2.38.0-1.fc34.aarch 237 kB/s | 9.9 kB 00:00 (16/382): at-spi2-core-2.38.0-2.fc34.aarch64.rp 6.7 MB/s | 172 kB 00:00 (17/382): at-spi2-core-devel-2.38.0-2.fc34.aarc 23 MB/s | 130 kB 00:00 (18/382): atk-devel-2.36.0-2.fc33.aarch64.rpm 20 MB/s | 174 kB 00:00 (19/382): atk-2.36.0-2.fc33.aarch64.rpm 23 MB/s | 272 kB 00:00 (20/382): avahi-libs-0.8-6.fc34.aarch64.rpm 10 MB/s | 65 kB 00:00 (21/382): brotli-1.0.9-3.fc34.aarch64.rpm 39 MB/s | 321 kB 00:00 (22/382): bzip2-devel-1.0.8-4.fc33.aarch64.rpm 27 MB/s | 214 kB 00:00 (23/382): bubblewrap-0.4.1-2.fc33.aarch64.rpm 3.2 MB/s | 49 kB 00:00 (24/382): brotli-devel-1.0.9-3.fc34.aarch64.rpm 1.6 MB/s | 32 kB 00:00 (25/382): cairo-1.16.0-9.fc33.aarch64.rpm 49 MB/s | 679 kB 00:00 (26/382): cairo-gobject-1.16.0-9.fc33.aarch64.r 1.8 MB/s | 19 kB 00:00 (27/382): cairo-devel-1.16.0-9.fc33.aarch64.rpm 15 MB/s | 241 kB 00:00 (28/382): cdparanoia-libs-10.2-35.fc34.aarch64. 8.6 MB/s | 53 kB 00:00 (29/382): cairo-gobject-devel-1.16.0-9.fc33.aar 1.3 MB/s | 10 kB 00:00 (30/382): cmake-filesystem-3.18.3-1.fc34.aarch6 2.6 MB/s | 16 kB 00:00 (31/382): cmake-data-3.18.3-1.fc34.noarch.rpm 71 MB/s | 1.5 MB 00:00 (32/382): cmake-3.18.3-1.fc34.aarch64.rpm 90 MB/s | 5.0 MB 00:00 (33/382): cmake-rpm-macros-3.18.3-1.fc34.noarch 381 kB/s | 15 kB 00:00 (34/382): colord-libs-1.4.5-1.fc34.aarch64.rpm 8.6 MB/s | 230 kB 00:00 (35/382): cups-libs-2.3.3-17.fc34.aarch64.rpm 10 MB/s | 275 kB 00:00 (36/382): dbus-1.12.20-2.fc33.aarch64.rpm 1.6 MB/s | 9.9 kB 00:00 (37/382): cryptsetup-libs-2.3.4-1.fc34.aarch64. 12 MB/s | 472 kB 00:00 (38/382): dbus-broker-24-1.fc34.aarch64.rpm 16 MB/s | 167 kB 00:00 (39/382): dbus-common-1.12.20-2.fc33.noarch.rpm 2.3 MB/s | 17 kB 00:00 (40/382): dbus-devel-1.12.20-2.fc33.aarch64.rpm 5.8 MB/s | 36 kB 00:00 (41/382): dbus-libs-1.12.20-2.fc33.aarch64.rpm 15 MB/s | 151 kB 00:00 (42/382): desktop-file-utils-0.26-2.fc33.aarch6 12 MB/s | 72 kB 00:00 (43/382): device-mapper-1.02.173-1.fc33.aarch64 6.9 MB/s | 140 kB 00:00 (44/382): device-mapper-libs-1.02.173-1.fc33.aa 17 MB/s | 173 kB 00:00 (45/382): dejavu-sans-fonts-2.37-15.fc34.noarch 24 MB/s | 1.3 MB 00:00 (46/382): dos2unix-7.4.2-1.fc34.aarch64.rpm 13 MB/s | 234 kB 00:00 (47/382): cpp-10.2.1-7.fc34.aarch64.rpm 60 MB/s | 9.3 MB 00:00 (48/382): emacs-filesystem-27.1-2.fc34.noarch.r 242 kB/s | 8.2 kB 00:00 (49/382): eigen3-devel-3.3.8-2.fc34.noarch.rpm 17 MB/s | 885 kB 00:00 (50/382): enchant2-2.2.13-1.fc34.aarch64.rpm 4.8 MB/s | 62 kB 00:00 (51/382): fontconfig-2.13.92-12.fc33.aarch64.rp 30 MB/s | 273 kB 00:00 (52/382): fonts-filesystem-2.0.5-4.fc33.noarch. 1.4 MB/s | 8.7 kB 00:00 (53/382): fontconfig-devel-2.13.92-12.fc33.aarc 11 MB/s | 129 kB 00:00 (54/382): fftw-libs-double-3.3.8-9.fc34.aarch64 24 MB/s | 615 kB 00:00 (55/382): freetype-2.10.4-1.fc34.aarch64.rpm 37 MB/s | 388 kB 00:00 (56/382): fribidi-1.0.10-3.fc33.aarch64.rpm 7.6 MB/s | 85 kB 00:00 (57/382): freetype-devel-2.10.4-1.fc34.aarch64. 58 MB/s | 1.1 MB 00:00 (58/382): fribidi-devel-1.0.10-3.fc33.aarch64.r 2.7 MB/s | 25 kB 00:00 (59/382): gd-2.3.0-3.fc33.aarch64.rpm 17 MB/s | 135 kB 00:00 (60/382): gdbm-libs-1.18.1-5.fc33.aarch64.rpm 21 MB/s | 53 kB 00:00 (61/382): gdk-pixbuf2-2.40.0-3.fc33.aarch64.rpm 14 MB/s | 461 kB 00:00 (62/382): gdk-pixbuf2-devel-2.40.0-3.fc33.aarch 5.8 MB/s | 213 kB 00:00 (63/382): gdk-pixbuf2-modules-2.40.0-3.fc33.aar 2.9 MB/s | 96 kB 00:00 (64/382): gcc-c++-10.2.1-7.fc34.aarch64.rpm 65 MB/s | 11 MB 00:00 (65/382): gettext-0.21-3.fc34.aarch64.rpm 17 MB/s | 1.1 MB 00:00 (66/382): gettext-libs-0.21-3.fc34.aarch64.rpm 8.5 MB/s | 298 kB 00:00 (67/382): gl-manpages-1.1-21.20190306.fc33.noar 26 MB/s | 1.0 MB 00:00 (68/382): glib-networking-2.66.0-1.fc34.aarch64 5.1 MB/s | 160 kB 00:00 (69/382): glib2-2.67.0-2.fc34.aarch64.rpm 86 MB/s | 2.6 MB 00:00 (70/382): glib2-devel-2.67.0-2.fc34.aarch64.rpm 17 MB/s | 470 kB 00:00 (71/382): gnutls-3.6.15-2.fc34.aarch64.rpm 55 MB/s | 889 kB 00:00 (72/382): glibc-devel-2.32.9000-14.fc34.aarch64 29 MB/s | 1.4 MB 00:00 (73/382): gcc-10.2.1-7.fc34.aarch64.rpm 70 MB/s | 28 MB 00:00 (74/382): graphene-1.10.2-5.fc34.aarch64.rpm 1.3 MB/s | 98 kB 00:00 (75/382): google-droid-sans-fonts-20200215-8.fc 25 MB/s | 2.7 MB 00:00 (76/382): graphite2-1.3.14-6.fc34.aarch64.rpm 4.4 MB/s | 92 kB 00:00 (77/382): graphite2-devel-1.3.14-6.fc34.aarch64 1.5 MB/s | 21 kB 00:00 (78/382): groff-base-1.22.4-4.fc34.aarch64.rpm 44 MB/s | 1.0 MB 00:00 (79/382): graphviz-2.44.0-14.fc34.aarch64.rpm 79 MB/s | 3.3 MB 00:00 (80/382): gsettings-desktop-schemas-3.38.0-1.fc 15 MB/s | 681 kB 00:00 (81/382): gtk-update-icon-cache-3.24.23-1.fc34. 5.0 MB/s | 33 kB 00:00 (82/382): gstreamer1-1.18.1-1.fc34.aarch64.rpm 24 MB/s | 1.3 MB 00:00 (83/382): gtk2-2.24.32-8.fc33.aarch64.rpm 77 MB/s | 3.5 MB 00:00 (84/382): gstreamer1-plugins-base-1.18.1-1.fc34 29 MB/s | 2.0 MB 00:00 (85/382): gtk3-3.24.23-1.fc34.aarch64.rpm 77 MB/s | 4.7 MB 00:00 (86/382): gts-0.7.6-38.20121130.fc33.aarch64.rp 4.9 MB/s | 230 kB 00:00 (87/382): gtk3-devel-3.24.23-1.fc34.aarch64.rpm 62 MB/s | 4.3 MB 00:00 (88/382): harfbuzz-2.7.2-1.fc34.aarch64.rpm 29 MB/s | 636 kB 00:00 (89/382): harfbuzz-devel-2.7.2-1.fc34.aarch64.r 18 MB/s | 271 kB 00:00 (90/382): harfbuzz-icu-2.7.2-1.fc34.aarch64.rpm 2.9 MB/s | 15 kB 00:00 (91/382): hunspell-1.7.0-7.fc33.aarch64.rpm 38 MB/s | 324 kB 00:00 (92/382): hunspell-en-US-0.20140811.1-17.fc33.n 20 MB/s | 176 kB 00:00 (93/382): hicolor-icon-theme-0.17-9.fc33.noarch 2.2 MB/s | 44 kB 00:00 (94/382): ilmbase-2.3.0-5.fc33.aarch64.rpm 14 MB/s | 125 kB 00:00 (95/382): hyphen-2.8.8-14.fc33.aarch64.rpm 1.9 MB/s | 29 kB 00:00 (96/382): inchi-devel-1.0.5-10.fc33.aarch64.rpm 1.7 MB/s | 23 kB 00:00 (97/382): iptables-libs-1.8.6-1.fc34.aarch64.rp 40 MB/s | 373 kB 00:00 (98/382): inchi-libs-1.0.5-10.fc33.aarch64.rpm 28 MB/s | 535 kB 00:00 (99/382): jasper-libs-2.0.22-1.fc34.aarch64.rpm 23 MB/s | 150 kB 00:00 (100/382): jbig2dec-libs-0.19-2.fc34.aarch64.rp 11 MB/s | 72 kB 00:00 (101/382): jbigkit-libs-2.1-20.fc34.aarch64.rpm 9.4 MB/s | 52 kB 00:00 (102/382): json-c-0.14-7.fc33.aarch64.rpm 14 MB/s | 41 kB 00:00 (103/382): json-glib-1.6.0-1.fc34.aarch64.rpm 22 MB/s | 147 kB 00:00 (104/382): isl-0.16.1-12.fc33.aarch64.rpm 17 MB/s | 844 kB 00:00 (105/382): jsoncpp-1.9.4-2.fc34.aarch64.rpm 9.4 MB/s | 91 kB 00:00 (106/382): kernel-headers-5.10.0-0.rc2.git0.1.f 78 MB/s | 1.2 MB 00:00 (107/382): iso-codes-4.5.0-2.fc33.noarch.rpm 46 MB/s | 3.4 MB 00:00 (108/382): langpacks-core-font-en-3.0-5.fc34.no 1.1 MB/s | 9.7 kB 00:00 (109/382): kmod-libs-27-3.fc33.aarch64.rpm 2.4 MB/s | 62 kB 00:00 (110/382): lasi-1.1.3-4.fc33.aarch64.rpm 9.1 MB/s | 54 kB 00:00 (111/382): lcms2-2.11-2.fc33.aarch64.rpm 22 MB/s | 168 kB 00:00 (112/382): libICE-1.0.10-4.fc33.aarch64.rpm 11 MB/s | 70 kB 00:00 (113/382): libSM-1.2.3-6.fc33.aarch64.rpm 6.5 MB/s | 41 kB 00:00 (114/382): libX11-common-1.6.12-3.fc34.noarch.r 24 MB/s | 153 kB 00:00 (115/382): libX11-xcb-1.6.12-3.fc34.aarch64.rpm 1.6 MB/s | 11 kB 00:00 (116/382): libX11-1.6.12-3.fc34.aarch64.rpm 27 MB/s | 653 kB 00:00 (117/382): libXau-1.0.9-5.fc34.aarch64.rpm 5.1 MB/s | 31 kB 00:00 (118/382): libX11-devel-1.6.12-3.fc34.aarch64.r 37 MB/s | 941 kB 00:00 (119/382): libXau-devel-1.0.9-5.fc34.aarch64.rp 2.2 MB/s | 13 kB 00:00 (120/382): libXcomposite-0.4.5-4.fc34.aarch64.r 3.3 MB/s | 23 kB 00:00 (121/382): libXaw-1.0.13-16.fc34.aarch64.rpm 16 MB/s | 198 kB 00:00 (122/382): libXcomposite-devel-0.4.5-4.fc34.aar 1.3 MB/s | 16 kB 00:00 (123/382): libXcursor-1.2.0-4.fc34.aarch64.rpm 4.5 MB/s | 30 kB 00:00 (124/382): libXcursor-devel-1.2.0-4.fc34.aarch6 4.0 MB/s | 22 kB 00:00 (125/382): libXdamage-1.1.5-4.fc34.aarch64.rpm 4.3 MB/s | 22 kB 00:00 (126/382): libXext-1.3.4-5.fc34.aarch64.rpm 7.6 MB/s | 38 kB 00:00 (127/382): libXext-devel-1.3.4-5.fc34.aarch64.r 13 MB/s | 73 kB 00:00 (128/382): libXfixes-5.0.3-13.fc34.aarch64.rpm 3.6 MB/s | 19 kB 00:00 (129/382): libXdamage-devel-1.1.5-4.fc34.aarch6 764 kB/s | 9.2 kB 00:00 (130/382): libXft-2.3.3-5.fc34.aarch64.rpm 6.6 MB/s | 61 kB 00:00 (131/382): libXft-devel-2.3.3-5.fc34.aarch64.rp 1.7 MB/s | 18 kB 00:00 (132/382): libXfixes-devel-5.0.3-13.fc34.aarch6 717 kB/s | 12 kB 00:00 (133/382): libXi-1.7.10-5.fc34.aarch64.rpm 5.2 MB/s | 37 kB 00:00 (134/382): libXi-devel-1.7.10-5.fc34.aarch64.rp 9.9 MB/s | 100 kB 00:00 (135/382): libXinerama-1.1.4-7.fc34.aarch64.rpm 2.0 MB/s | 14 kB 00:00 (136/382): libXinerama-devel-1.1.4-7.fc34.aarch 1.8 MB/s | 13 kB 00:00 (137/382): libXrandr-1.5.2-5.fc34.aarch64.rpm 5.6 MB/s | 27 kB 00:00 (138/382): libXpm-3.5.13-3.fc33.aarch64.rpm 5.8 MB/s | 58 kB 00:00 (139/382): libXrandr-devel-1.5.2-5.fc34.aarch64 4.0 MB/s | 19 kB 00:00 (140/382): libXmu-1.1.3-5.fc34.aarch64.rpm 5.4 MB/s | 75 kB 00:00 (141/382): libXrender-0.9.10-13.fc34.aarch64.rp 3.9 MB/s | 26 kB 00:00 (142/382): libXt-1.2.0-3.fc34.aarch64.rpm 25 MB/s | 179 kB 00:00 (143/382): libXrender-devel-0.9.10-13.fc34.aarc 1.5 MB/s | 16 kB 00:00 (144/382): libXtst-1.2.3-12.fc33.aarch64.rpm 3.6 MB/s | 20 kB 00:00 (145/382): libXtst-devel-1.2.3-12.fc33.aarch64. 2.7 MB/s | 15 kB 00:00 (146/382): libXxf86vm-1.1.4-15.fc34.aarch64.rpm 3.5 MB/s | 18 kB 00:00 (147/382): libXv-1.0.11-13.fc34.aarch64.rpm 1.9 MB/s | 18 kB 00:00 (148/382): libargon2-20171227-5.fc33.aarch64.rp 4.6 MB/s | 28 kB 00:00 (149/382): libatomic-10.2.1-7.fc34.aarch64.rpm 6.5 MB/s | 43 kB 00:00 (150/382): libasan-10.2.1-7.fc34.aarch64.rpm 33 MB/s | 403 kB 00:00 (151/382): libblkid-devel-2.36-3.fc34.aarch64.r 2.0 MB/s | 17 kB 00:00 (152/382): libcbor-0.7.0-2.fc34.aarch64.rpm 7.5 MB/s | 56 kB 00:00 (153/382): libdatrie-0.2.9-13.fc34.aarch64.rpm 4.9 MB/s | 31 kB 00:00 (154/382): libdrm-2.4.103-1.fc34.aarch64.rpm 18 MB/s | 131 kB 00:00 (155/382): libepoxy-devel-1.5.4-3.fc33.aarch64. 17 MB/s | 134 kB 00:00 (156/382): libdatrie-devel-0.2.9-13.fc34.aarch6 4.4 MB/s | 127 kB 00:00 (157/382): libevent-2.1.12-2.fc34.aarch64.rpm 35 MB/s | 259 kB 00:00 (158/382): libffi-devel-3.1-26.fc33.aarch64.rpm 3.3 MB/s | 23 kB 00:00 (159/382): libfido2-1.5.0-2.fc34.aarch64.rpm 9.4 MB/s | 66 kB 00:00 (160/382): libfontenc-1.1.3-13.fc33.aarch64.rpm 5.4 MB/s | 30 kB 00:00 (161/382): libglvnd-1.3.2-2.fc33.aarch64.rpm 19 MB/s | 128 kB 00:00 (162/382): libglvnd-core-devel-1.3.2-2.fc33.aar 4.1 MB/s | 18 kB 00:00 (163/382): libglvnd-devel-1.3.2-2.fc33.aarch64. 24 MB/s | 156 kB 00:00 (164/382): libglvnd-egl-1.3.2-2.fc33.aarch64.rp 7.8 MB/s | 37 kB 00:00 (165/382): libglvnd-gles-1.3.2-2.fc33.aarch64.r 5.8 MB/s | 34 kB 00:00 (166/382): libglvnd-glx-1.3.2-2.fc33.aarch64.rp 22 MB/s | 147 kB 00:00 (167/382): libglvnd-opengl-1.3.2-2.fc33.aarch64 10 MB/s | 46 kB 00:00 (168/382): libgusb-0.3.5-1.fc33.aarch64.rpm 6.1 MB/s | 48 kB 00:00 (169/382): libgs-9.53.3-2.fc34.aarch64.rpm 98 MB/s | 3.0 MB 00:00 (170/382): libepoxy-1.5.4-3.fc33.aarch64.rpm 2.9 MB/s | 266 kB 00:00 (171/382): libibverbs-core-32.0-1.fc34.aarch64. 3.6 MB/s | 71 kB 00:00 (172/382): libijs-0.35-12.fc33.aarch64.rpm 4.3 MB/s | 29 kB 00:00 (173/382): libicu-devel-67.1-4.fc33.aarch64.rpm 44 MB/s | 830 kB 00:00 (174/382): libimagequant-2.13.0-1.fc34.aarch64. 4.9 MB/s | 63 kB 00:00 (175/382): libjpeg-turbo-2.0.5-5.fc33.aarch64.r 24 MB/s | 155 kB 00:00 (176/382): liblqr-1-0.4.2-15.fc33.aarch64.rpm 5.4 MB/s | 47 kB 00:00 (177/382): libmcpp-2.7.2-26.fc33.aarch64.rpm 13 MB/s | 79 kB 00:00 (178/382): libmnl-1.0.4-12.fc33.aarch64.rpm 4.0 MB/s | 27 kB 00:00 (179/382): libmodman-2.0.1-23.fc33.aarch64.rpm 3.2 MB/s | 33 kB 00:00 (180/382): libmount-devel-2.36-3.fc34.aarch64.r 2.7 MB/s | 18 kB 00:00 (181/382): libmpc-1.1.0-9.fc33.aarch64.rpm 4.9 MB/s | 60 kB 00:00 (182/382): libnetfilter_conntrack-1.0.7-5.fc33. 9.7 MB/s | 61 kB 00:00 (183/382): libnfnetlink-1.0.1-18.fc33.aarch64.r 6.0 MB/s | 29 kB 00:00 (184/382): libmspack-0.10.1-0.4.alpha.fc33.aarc 2.4 MB/s | 67 kB 00:00 (185/382): libnotify-0.7.9-3.fc33.aarch64.rpm 4.0 MB/s | 42 kB 00:00 (186/382): libnl3-3.5.0-5.fc33.aarch64.rpm 19 MB/s | 316 kB 00:00 (187/382): libogg-1.3.4-3.fc33.aarch64.rpm 5.4 MB/s | 32 kB 00:00 (188/382): libpaper-1.1.28-1.fc34.aarch64.rpm 6.9 MB/s | 41 kB 00:00 (189/382): libpcap-1.9.1-6.fc34.aarch64.rpm 22 MB/s | 170 kB 00:00 (190/382): libpng-1.6.37-6.fc34.aarch64.rpm 17 MB/s | 115 kB 00:00 (191/382): libpng-devel-1.6.37-6.fc34.aarch64.r 37 MB/s | 291 kB 00:00 (192/382): libraqm-0.7.0-6.fc33.aarch64.rpm 3.2 MB/s | 19 kB 00:00 (193/382): libproxy-0.4.15-27.fc34.aarch64.rpm 2.1 MB/s | 63 kB 00:00 (194/382): librsvg2-2.50.1-1.fc34.aarch64.rpm 96 MB/s | 3.0 MB 00:00 (195/382): libseccomp-2.5.0-3.fc33.aarch64.rpm 5.0 MB/s | 72 kB 00:00 (196/382): libicu-67.1-4.fc33.aarch64.rpm 52 MB/s | 9.7 MB 00:00 (197/382): libsecret-0.20.3-2.fc33.aarch64.rpm 5.7 MB/s | 160 kB 00:00 (198/382): libselinux-devel-3.1-4.fc34.aarch64. 4.7 MB/s | 113 kB 00:00 (199/382): libsepol-devel-3.1-4.fc34.aarch64.rp 6.6 MB/s | 40 kB 00:00 (200/382): libtextstyle-0.21-3.fc34.aarch64.rpm 14 MB/s | 88 kB 00:00 (201/382): libthai-0.1.28-5.fc33.aarch64.rpm 22 MB/s | 209 kB 00:00 (202/382): libsoup-2.72.0-3.fc34.aarch64.rpm 15 MB/s | 391 kB 00:00 (203/382): libthai-devel-0.1.28-5.fc33.aarch64. 5.9 MB/s | 119 kB 00:00 (204/382): libtheora-1.1.1-28.fc33.aarch64.rpm 7.9 MB/s | 158 kB 00:00 (205/382): libtiff-4.1.0-5.fc34.aarch64.rpm 13 MB/s | 182 kB 00:00 (206/382): libstdc++-devel-10.2.1-7.fc34.aarch6 33 MB/s | 2.0 MB 00:00 (207/382): libubsan-10.2.1-7.fc34.aarch64.rpm 12 MB/s | 182 kB 00:00 (208/382): libunwind-1.4.0-4.fc34.aarch64.rpm 9.0 MB/s | 67 kB 00:00 (209/382): libusbx-1.0.23-2.fc33.aarch64.rpm 15 MB/s | 71 kB 00:00 (210/382): libuv-1.40.0-1.fc34.aarch64.rpm 20 MB/s | 148 kB 00:00 (211/382): libvorbis-1.3.7-2.fc33.aarch64.rpm 31 MB/s | 195 kB 00:00 (212/382): libvisual-0.4.0-29.fc33.aarch64.rpm 11 MB/s | 142 kB 00:00 (213/382): libwayland-client-1.18.0-2.fc33.aarc 4.6 MB/s | 32 kB 00:00 (214/382): libwayland-server-1.18.0-2.fc33.aarc 7.6 MB/s | 41 kB 00:00 (215/382): libwayland-egl-1.18.0-2.fc33.aarch64 1.6 MB/s | 12 kB 00:00 (216/382): libwayland-cursor-1.18.0-2.fc33.aarc 1.7 MB/s | 19 kB 00:00 (217/382): libwebp-1.1.0-5.fc33.aarch64.rpm 33 MB/s | 262 kB 00:00 (218/382): libwmf-lite-0.2.12-4.fc33.aarch64.rp 6.4 MB/s | 72 kB 00:00 (219/382): libwpe-1.8.0-1.fc34.aarch64.rpm 2.3 MB/s | 26 kB 00:00 (220/382): libxcb-1.13.1-6.fc34.aarch64.rpm 17 MB/s | 231 kB 00:00 (221/382): libxcrypt-devel-4.4.17-1.fc34.aarch6 3.4 MB/s | 32 kB 00:00 (222/382): libxkbcommon-devel-1.0.1-1.fc34.aarc 12 MB/s | 62 kB 00:00 (223/382): libxkbcommon-1.0.1-1.fc34.aarch64.rp 16 MB/s | 134 kB 00:00 (224/382): libxshmfence-1.3-7.fc33.aarch64.rpm 2.7 MB/s | 12 kB 00:00 (225/382): libxml2-devel-2.9.10-7.fc34.aarch64. 58 MB/s | 852 kB 00:00 (226/382): libxcb-devel-1.13.1-6.fc34.aarch64.r 26 MB/s | 1.0 MB 00:00 (227/382): libxslt-1.1.34-4.fc34.aarch64.rpm 15 MB/s | 240 kB 00:00 (228/382): libyaml-0.2.5-3.fc33.aarch64.rpm 9.5 MB/s | 60 kB 00:00 (229/382): mcpp-2.7.2-26.fc33.aarch64.rpm 5.2 MB/s | 27 kB 00:00 (230/382): mesa-libGL-20.2.2-1.fc34.aarch64.rpm 23 MB/s | 190 kB 00:00 (231/382): mesa-libEGL-20.2.2-1.fc34.aarch64.rp 13 MB/s | 121 kB 00:00 (232/382): mesa-libGLU-9.0.1-3.fc33.aarch64.rpm 21 MB/s | 136 kB 00:00 (233/382): mesa-libgbm-20.2.2-1.fc34.aarch64.rp 8.1 MB/s | 44 kB 00:00 (234/382): mesa-libGLU-devel-9.0.1-3.fc33.aarch 1.2 MB/s | 12 kB 00:00 (235/382): mesa-libglapi-20.2.2-1.fc34.aarch64. 13 MB/s | 71 kB 00:00 (236/382): nettle-3.6-3.fc33.aarch64.rpm 46 MB/s | 423 kB 00:00 (237/382): netpbm-10.92.00-1.fc34.aarch64.rpm 14 MB/s | 184 kB 00:00 (238/382): ncurses-6.2-3.20200222.fc33.aarch64. 20 MB/s | 394 kB 00:00 (239/382): openjpeg2-2.3.1-7.fc33.aarch64.rpm 17 MB/s | 151 kB 00:00 (240/382): opus-1.3.1-7.fc34.aarch64.rpm 25 MB/s | 196 kB 00:00 (241/382): pango-1.47.0-1.fc34.aarch64.rpm 39 MB/s | 294 kB 00:00 (242/382): orc-0.4.31-3.fc33.aarch64.rpm 11 MB/s | 181 kB 00:00 (243/382): pango-devel-1.47.0-1.fc34.aarch64.rp 28 MB/s | 338 kB 00:00 (244/382): pcre-cpp-8.44-2.fc34.aarch64.rpm 4.1 MB/s | 26 kB 00:00 (245/382): pcre-utf32-8.44-2.fc34.aarch64.rpm 20 MB/s | 159 kB 00:00 (246/382): pcre-utf16-8.44-2.fc34.aarch64.rpm 14 MB/s | 168 kB 00:00 (247/382): pcre-devel-8.44-2.fc34.aarch64.rpm 33 MB/s | 471 kB 00:00 (248/382): pcre2-devel-10.35-8.fc34.aarch64.rpm 57 MB/s | 473 kB 00:00 (249/382): pcre2-utf16-10.35-8.fc34.aarch64.rpm 22 MB/s | 194 kB 00:00 (250/382): pcre2-utf32-10.35-8.fc34.aarch64.rpm 25 MB/s | 185 kB 00:00 (251/382): perl-AutoSplit-5.74-465.fc34.noarch. 6.0 MB/s | 34 kB 00:00 (252/382): perl-B-1.80-465.fc34.aarch64.rpm 27 MB/s | 194 kB 00:00 (253/382): perl-Benchmark-1.23-465.fc34.noarch. 3.9 MB/s | 39 kB 00:00 (254/382): perl-Class-Struct-0.66-465.fc34.noar 5.7 MB/s | 35 kB 00:00 (255/382): perl-Carp-1.50-457.fc33.noarch.rpm 2.5 MB/s | 29 kB 00:00 (256/382): perl-Data-Dumper-2.174-459.fc34.aarc 12 MB/s | 55 kB 00:00 (257/382): perl-Devel-PPPort-3.62-1.fc34.aarch6 29 MB/s | 211 kB 00:00 (258/382): perl-DynaLoader-1.47-465.fc34.aarch6 5.9 MB/s | 41 kB 00:00 (259/382): perl-Errno-1.30-465.fc34.aarch64.rpm 5.6 MB/s | 27 kB 00:00 (260/382): perl-Exporter-5.74-458.fc33.noarch.r 4.8 MB/s | 32 kB 00:00 (261/382): perl-ExtUtils-Command-7.52-1.fc34.no 2.1 MB/s | 14 kB 00:00 (262/382): perl-Encode-3.07-457.fc33.aarch64.rp 62 MB/s | 1.8 MB 00:00 (263/382): perl-ExtUtils-Constant-0.25-465.fc34 3.5 MB/s | 59 kB 00:00 (264/382): perl-ExtUtils-Install-2.18-1.fc34.no 4.1 MB/s | 45 kB 00:00 (265/382): perl-ExtUtils-MakeMaker-7.52-1.fc34. 34 MB/s | 289 kB 00:00 (266/382): perl-ExtUtils-ParseXS-3.40-457.fc33. 20 MB/s | 183 kB 00:00 (267/382): perl-ExtUtils-Manifest-1.72-457.fc33 3.3 MB/s | 34 kB 00:00 (268/382): perl-Fcntl-1.13-465.fc34.aarch64.rpm 8.8 MB/s | 33 kB 00:00 (269/382): perl-File-Basename-2.85-465.fc34.noa 5.7 MB/s | 30 kB 00:00 (270/382): perl-File-Copy-2.34-465.fc34.noarch. 7.1 MB/s | 32 kB 00:00 (271/382): perl-Fedora-VSP-0.001-20.fc33.noarch 1.8 MB/s | 23 kB 00:00 (272/382): perl-File-Find-1.37-465.fc34.noarch. 5.5 MB/s | 38 kB 00:00 (273/382): perl-File-Compare-1.100.600-465.fc34 1.4 MB/s | 26 kB 00:00 (274/382): perl-File-Path-2.18-1.fc34.noarch.rp 4.2 MB/s | 36 kB 00:00 (275/382): perl-File-Temp-0.231.100-1.fc34.noar 9.4 MB/s | 60 kB 00:00 (276/382): perl-File-stat-1.09-465.fc34.noarch. 4.1 MB/s | 30 kB 00:00 (277/382): perl-Getopt-Long-2.52-1.fc34.noarch. 7.8 MB/s | 60 kB 00:00 (278/382): perl-Getopt-Std-1.12-465.fc34.noarch 5.4 MB/s | 28 kB 00:00 (279/382): perl-HTTP-Tiny-0.076-457.fc33.noarch 10 MB/s | 55 kB 00:00 (280/382): perl-IO-1.43-465.fc34.aarch64.rpm 18 MB/s | 99 kB 00:00 (281/382): perl-IPC-Open3-1.21-465.fc34.noarch. 5.9 MB/s | 35 kB 00:00 (282/382): perl-POSIX-1.94-465.fc34.aarch64.rpm 16 MB/s | 112 kB 00:00 (283/382): perl-MIME-Base64-3.16-1.fc34.aarch64 3.0 MB/s | 30 kB 00:00 (284/382): perl-PathTools-3.78-458.fc34.aarch64 12 MB/s | 86 kB 00:00 (285/382): perl-Pod-Escapes-1.07-457.fc33.noarc 3.4 MB/s | 20 kB 00:00 (286/382): perl-Pod-Perldoc-3.28.01-458.fc33.no 15 MB/s | 84 kB 00:00 (287/382): perl-Pod-Simple-3.41-459.fc34.noarch 23 MB/s | 216 kB 00:00 (288/382): perl-Pod-Usage-2.01-1.fc34.noarch.rp 6.0 MB/s | 41 kB 00:00 (289/382): perl-SelectSaver-1.02-465.fc34.noarc 4.2 MB/s | 24 kB 00:00 (290/382): perl-Scalar-List-Utils-1.55-457.fc33 5.5 MB/s | 69 kB 00:00 (291/382): perl-Socket-2.030-2.fc33.aarch64.rpm 6.8 MB/s | 55 kB 00:00 (292/382): perl-Storable-3.21-457.fc33.aarch64. 16 MB/s | 95 kB 00:00 (293/382): perl-Symbol-1.08-465.fc34.noarch.rpm 4.9 MB/s | 26 kB 00:00 (294/382): perl-Term-Cap-1.17-457.fc33.noarch.r 4.1 MB/s | 22 kB 00:00 (295/382): perl-Term-ANSIColor-5.01-458.fc33.no 5.8 MB/s | 49 kB 00:00 (296/382): perl-Test-Harness-3.42-458.fc33.noar 34 MB/s | 269 kB 00:00 (297/382): perl-Text-ParseWords-3.30-457.fc33.n 2.5 MB/s | 16 kB 00:00 (298/382): perl-Text-Tabs+Wrap-2013.0523-457.fc 4.0 MB/s | 23 kB 00:00 (299/382): perl-base-2.27-465.fc34.noarch.rpm 4.4 MB/s | 29 kB 00:00 (300/382): perl-Time-Local-1.300-4.fc33.noarch. 2.7 MB/s | 34 kB 00:00 (301/382): perl-constant-1.33-458.fc33.noarch.r 2.1 MB/s | 23 kB 00:00 (302/382): perl-devel-5.32.0-465.fc34.aarch64.r 56 MB/s | 676 kB 00:00 (303/382): perl-if-0.60.800-465.fc34.noarch.rpm 3.3 MB/s | 26 kB 00:00 (304/382): perl-generators-1.11-9.fc33.noarch.r 1.3 MB/s | 16 kB 00:00 (305/382): perl-interpreter-5.32.0-465.fc34.aar 13 MB/s | 84 kB 00:00 (306/382): perl-lib-0.65-465.fc34.aarch64.rpm 1.6 MB/s | 27 kB 00:00 (307/382): perl-libs-5.32.0-465.fc34.aarch64.rp 97 MB/s | 2.0 MB 00:00 (308/382): perl-locale-1.09-465.fc34.noarch.rpm 1.5 MB/s | 26 kB 00:00 (309/382): perl-macros-5.32.0-465.fc34.noarch.r 3.4 MB/s | 23 kB 00:00 (310/382): perl-overload-1.31-465.fc34.noarch.r 10 MB/s | 58 kB 00:00 (311/382): perl-mro-1.23-465.fc34.aarch64.rpm 5.7 MB/s | 40 kB 00:00 (312/382): perl-overloading-0.02-465.fc34.noarc 3.4 MB/s | 25 kB 00:00 (313/382): perl-parent-0.238-457.fc33.noarch.rp 2.4 MB/s | 14 kB 00:00 (314/382): perl-subs-1.03-465.fc34.noarch.rpm 3.5 MB/s | 24 kB 00:00 (315/382): perl-podlators-4.14-457.fc33.noarch. 12 MB/s | 113 kB 00:00 (316/382): perl-vars-1.05-465.fc34.noarch.rpm 3.9 MB/s | 25 kB 00:00 (317/382): perl-version-0.99.28-1.fc34.aarch64. 11 MB/s | 62 kB 00:00 (318/382): pixman-0.40.0-2.fc33.aarch64.rpm 21 MB/s | 173 kB 00:00 (319/382): pixman-devel-0.40.0-2.fc33.aarch64.r 1.5 MB/s | 17 kB 00:00 (320/382): python-setuptools-wheel-50.3.2-1.fc3 90 MB/s | 471 kB 00:00 (321/382): python-rpm-macros-3.9-10.fc34.noarch 1.2 MB/s | 15 kB 00:00 (322/382): python3-3.9.0-1.fc34.aarch64.rpm 10 MB/s | 28 kB 00:00 (323/382): python-pip-wheel-20.2.4-1.fc34.noarc 52 MB/s | 1.3 MB 00:00 (324/382): python3-libs-3.9.0-1.fc34.aarch64.rp 137 MB/s | 7.4 MB 00:00 (325/382): python3-devel-3.9.0-1.fc34.aarch64.r 3.4 MB/s | 205 kB 00:00 (326/382): python3-pyparsing-2.4.7-4.fc33.noarc 3.0 MB/s | 149 kB 00:00 (327/382): python3-setuptools-50.3.2-1.fc34.noa 105 MB/s | 760 kB 00:00 (328/382): python3-rpm-generators-11-12.fc34.no 2.5 MB/s | 29 kB 00:00 (329/382): python3-rpm-macros-3.9-10.fc34.noarc 1.4 MB/s | 13 kB 00:00 (330/382): qrencode-libs-4.0.2-6.fc33.aarch64.r 8.9 MB/s | 60 kB 00:00 (331/382): rest-0.8.1-8.fc33.aarch64.rpm 7.9 MB/s | 68 kB 00:00 (332/382): rhash-1.4.0-2.fc33.aarch64.rpm 31 MB/s | 184 kB 00:00 (333/382): rapidjson-devel-1.1.0-15.fc34.aarch6 6.2 MB/s | 109 kB 00:00 (334/382): ruby-2.7.2-135.fc34.aarch64.rpm 3.2 MB/s | 41 kB 00:00 (335/382): ruby-devel-2.7.2-135.fc34.aarch64.rp 12 MB/s | 201 kB 00:00 (336/382): rubygem-openssl-2.1.2-135.fc34.aarch 9.7 MB/s | 150 kB 00:00 (337/382): rubygem-psych-3.1.0-135.fc34.aarch64 3.8 MB/s | 49 kB 00:00 (338/382): rubypick-1.1.1-13.fc33.noarch.rpm 1.0 MB/s | 9.7 kB 00:00 (339/382): rubygems-3.1.4-201.fc33.noarch.rpm 16 MB/s | 285 kB 00:00 (340/382): ruby-libs-2.7.2-135.fc34.aarch64.rpm 63 MB/s | 3.2 MB 00:00 (341/382): shared-mime-info-2.0-4.fc34.aarch64. 20 MB/s | 308 kB 00:00 (342/382): systemd-pam-246.6-3.fc34.aarch64.rpm 24 MB/s | 308 kB 00:00 (343/382): systemd-246.6-3.fc34.aarch64.rpm 88 MB/s | 3.8 MB 00:00 (344/382): systemd-rpm-macros-246.6-3.fc34.noar 875 kB/s | 29 kB 00:00 (345/382): swig-4.0.2-3.fc34.aarch64.rpm 22 MB/s | 1.4 MB 00:00 (346/382): systemtap-sdt-devel-4.4-0.20200922gi 7.5 MB/s | 70 kB 00:00 (347/382): urw-base35-c059-fonts-20200910-1.fc3 62 MB/s | 884 kB 00:00 (348/382): urw-base35-d050000l-fonts-20200910-1 6.1 MB/s | 77 kB 00:00 (349/382): urw-base35-bookman-fonts-20200910-1. 37 MB/s | 856 kB 00:00 (350/382): urw-base35-fonts-20200910-1.fc34.noa 1.5 MB/s | 9.6 kB 00:00 (351/382): urw-base35-fonts-common-20200910-1.f 2.7 MB/s | 20 kB 00:00 (352/382): urw-base35-gothic-fonts-20200910-1.f 50 MB/s | 652 kB 00:00 (353/382): urw-base35-nimbus-mono-ps-fonts-2020 42 MB/s | 802 kB 00:00 (354/382): urw-base35-nimbus-roman-fonts-202009 43 MB/s | 865 kB 00:00 (355/382): urw-base35-nimbus-sans-fonts-2020091 65 MB/s | 1.3 MB 00:00 (356/382): urw-base35-standard-symbols-ps-fonts 8.3 MB/s | 42 kB 00:00 (357/382): vim-filesystem-8.2.1961-1.fc34.noarc 4.0 MB/s | 22 kB 00:00 (358/382): urw-base35-z003-fonts-20200910-1.fc3 31 MB/s | 279 kB 00:00 (359/382): urw-base35-p052-fonts-20200910-1.fc3 45 MB/s | 983 kB 00:00 (360/382): wayland-devel-1.18.0-2.fc33.aarch64. 8.7 MB/s | 132 kB 00:00 (361/382): wayland-protocols-devel-1.20-2.fc33. 5.3 MB/s | 74 kB 00:00 (362/382): woff2-1.0.2-9.fc33.aarch64.rpm 3.8 MB/s | 58 kB 00:00 (363/382): wpebackend-fdo-1.8.0-1.fc34.aarch64. 4.0 MB/s | 41 kB 00:00 (364/382): wxBase3-3.0.5.1-2.fc33.aarch64.rpm 29 MB/s | 912 kB 00:00 (365/382): wxBase3-devel-3.0.5.1-2.fc33.aarch64 15 MB/s | 1.1 MB 00:00 (366/382): webkit2gtk3-jsc-2.30.2-1.fc34.aarch6 30 MB/s | 6.1 MB 00:00 (367/382): wxGTK3-3.0.5.1-2.fc33.aarch64.rpm 38 MB/s | 4.1 MB 00:00 (368/382): wxGTK3-devel-3.0.5.1-2.fc33.aarch64. 635 kB/s | 32 kB 00:00 (369/382): wxGTK3-gl-3.0.5.1-2.fc33.aarch64.rpm 1.3 MB/s | 38 kB 00:00 (370/382): webkit2gtk3-2.30.2-1.fc34.aarch64.rp 48 MB/s | 16 MB 00:00 (371/382): wxGTK3-i18n-3.0.5.1-2.fc33.noarch.rp 8.5 MB/s | 528 kB 00:00 (372/382): wxGTK3-media-3.0.5.1-2.fc33.aarch64. 1.2 MB/s | 53 kB 00:00 (373/382): xdg-dbus-proxy-0.1.2-3.fc33.aarch64. 5.9 MB/s | 41 kB 00:00 (374/382): xkeyboard-config-2.31-2.fc34.noarch. 62 MB/s | 750 kB 00:00 (375/382): wxGTK3-webview-3.0.5.1-2.fc33.aarch6 3.8 MB/s | 58 kB 00:00 (376/382): xml-common-0.6.3-55.fc33.noarch.rpm 6.2 MB/s | 31 kB 00:00 (377/382): xorg-x11-font-utils-7.5-46.fc34.aarc 12 MB/s | 100 kB 00:00 (378/382): xorg-x11-proto-devel-2019.1-5.fc34.n 28 MB/s | 261 kB 00:00 (379/382): xorg-x11-server-utils-7.7-37.fc34.aa 24 MB/s | 187 kB 00:00 (380/382): xz-devel-5.2.5-3.fc33.aarch64.rpm 8.7 MB/s | 52 kB 00:00 (381/382): zlib-devel-1.2.11-22.fc33.aarch64.rp 7.8 MB/s | 44 kB 00:00 (382/382): xorg-x11-fonts-ISO8859-1-100dpi-7.5- 35 MB/s | 1.0 MB 00:00 -------------------------------------------------------------------------------- Total 78 MB/s | 226 MB 00:02 Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Preparing : 1/1 Installing : shared-mime-info-2.0-4.fc34.aarch64 1/382 Running scriptlet: shared-mime-info-2.0-4.fc34.aarch64 1/382 Installing : glib2-2.67.0-2.fc34.aarch64 2/382 Installing : perl-Errno-1.30-465.fc34.aarch64 3/382 Installing : perl-Exporter-5.74-458.fc33.noarch 4/382 Installing : perl-Scalar-List-Utils-4:1.55-457.fc33.aarch64 5/382 Installing : perl-PathTools-3.78-458.fc34.aarch64 6/382 Installing : perl-constant-1.33-458.fc33.noarch 7/382 Installing : perl-libs-4:5.32.0-465.fc34.aarch64 8/382 Installing : perl-Carp-1.50-457.fc33.noarch 9/382 Installing : perl-File-Basename-2.85-465.fc34.noarch 10/382 Installing : perl-vars-1.05-465.fc34.noarch 11/382 Installing : xorg-x11-proto-devel-2019.1-5.fc34.noarch 12/382 Installing : libpng-2:1.6.37-6.fc34.aarch64 13/382 Installing : freetype-2.10.4-1.fc34.aarch64 14/382 Installing : gdk-pixbuf2-2.40.0-3.fc33.aarch64 15/382 Installing : perl-interpreter-4:5.32.0-465.fc34.aarch64 16/382 Installing : libjpeg-turbo-2.0.5-5.fc33.aarch64 17/382 Installing : perl-File-Path-2.18-1.fc34.noarch 18/382 Installing : perl-Fcntl-1.13-465.fc34.aarch64 19/382 Installing : perl-POSIX-1.94-465.fc34.aarch64 20/382 Installing : perl-Symbol-1.08-465.fc34.noarch 21/382 Installing : atk-2.36.0-2.fc33.aarch64 22/382 Installing : libwayland-client-1.18.0-2.fc33.aarch64 23/382 Installing : wxBase3-3.0.5.1-2.fc33.aarch64 24/382 Installing : cmake-filesystem-3.18.3-1.fc34.aarch64 25/382 Installing : perl-File-Find-1.37-465.fc34.noarch 26/382 Installing : libwayland-server-1.18.0-2.fc33.aarch64 27/382 Installing : libwayland-egl-1.18.0-2.fc33.aarch64 28/382 Installing : libglvnd-1:1.3.2-2.fc33.aarch64 29/382 Installing : perl-Text-ParseWords-3.30-457.fc33.noarch 30/382 Installing : perl-parent-1:0.238-457.fc33.noarch 31/382 Installing : zlib-devel-1.2.11-22.fc33.aarch64 32/382 Installing : libwebp-1.1.0-5.fc33.aarch64 33/382 Installing : libicu-67.1-4.fc33.aarch64 34/382 Installing : libepoxy-1.5.4-3.fc33.aarch64 35/382 Installing : libX11-xcb-1.6.12-3.fc34.aarch64 36/382 Installing : libICE-1.0.10-4.fc33.aarch64 37/382 Installing : lcms2-2.11-2.fc33.aarch64 38/382 Installing : fribidi-1.0.10-3.fc33.aarch64 39/382 Installing : fonts-filesystem-1:2.0.5-4.fc33.noarch 40/382 Installing : urw-base35-fonts-common-20200910-1.fc34.noarch 41/382 Installing : dbus-libs-1:1.12.20-2.fc33.aarch64 42/382 Installing : libSM-1.2.3-6.fc33.aarch64 43/382 Installing : libwayland-cursor-1.18.0-2.fc33.aarch64 44/382 Installing : perl-Text-Tabs+Wrap-2013.0523-457.fc33.noarch 45/382 Installing : perl-File-Copy-2.34-465.fc34.noarch 46/382 Running scriptlet: xml-common-0.6.3-55.fc33.noarch 47/382 Installing : xml-common-0.6.3-55.fc33.noarch 47/382 Installing : pixman-0.40.0-2.fc33.aarch64 48/382 Installing : openjpeg2-2.3.1-7.fc33.aarch64 49/382 Installing : libogg-2:1.3.4-3.fc33.aarch64 50/382 Installing : libmpc-1.1.0-9.fc33.aarch64 51/382 Installing : libdrm-2.4.103-1.fc34.aarch64 52/382 Installing : graphite2-1.3.14-6.fc34.aarch64 53/382 Installing : harfbuzz-2.7.2-1.fc34.aarch64 54/382 Installing : harfbuzz-icu-2.7.2-1.fc34.aarch64 55/382 Installing : libraqm-0.7.0-6.fc33.aarch64 56/382 Installing : dbus-devel-1:1.12.20-2.fc33.aarch64 57/382 Installing : dejavu-sans-fonts-2.37-15.fc34.noarch 58/382 Installing : fribidi-devel-1.0.10-3.fc33.aarch64 59/382 Installing : libpng-devel-2:1.6.37-6.fc34.aarch64 60/382 Installing : jasper-libs-2.0.22-1.fc34.aarch64 61/382 Installing : gtk-update-icon-cache-3.24.23-1.fc34.aarch64 62/382 Installing : perl-File-Compare-1.100.600-465.fc34.noarch 63/382 Installing : perl-Socket-4:2.030-2.fc33.aarch64 64/382 Installing : perl-overloading-0.02-465.fc34.noarch 65/382 Installing : perl-Data-Dumper-2.174-459.fc34.aarch64 66/382 Installing : perl-B-1.80-465.fc34.aarch64 67/382 Installing : perl-MIME-Base64-3.16-1.fc34.aarch64 68/382 Installing : perl-Term-ANSIColor-5.01-458.fc33.noarch 69/382 Installing : perl-if-0.60.800-465.fc34.noarch 70/382 Installing : hunspell-en-US-0.20140811.1-17.fc33.noarch 71/382 Installing : hunspell-1.7.0-7.fc33.aarch64 72/382 Installing : python-rpm-macros-3.9-10.fc34.noarch 73/382 Installing : mesa-libglapi-20.2.2-1.fc34.aarch64 74/382 Installing : libxshmfence-1.3-7.fc33.aarch64 75/382 Installing : libtextstyle-0.21-3.fc34.aarch64 76/382 Installing : libseccomp-2.5.0-3.fc33.aarch64 77/382 Installing : libdatrie-0.2.9-13.fc34.aarch64 78/382 Installing : libthai-0.1.28-5.fc33.aarch64 79/382 Installing : libXau-1.0.9-5.fc34.aarch64 80/382 Installing : libxcb-1.13.1-6.fc34.aarch64 81/382 Installing : jbigkit-libs-2.1-20.fc34.aarch64 82/382 Installing : libtiff-4.1.0-5.fc34.aarch64 83/382 Installing : gdk-pixbuf2-modules-2.40.0-3.fc33.aarch64 84/382 Installing : ilmbase-2.3.0-5.fc33.aarch64 85/382 Installing : hicolor-icon-theme-0.17-9.fc33.noarch 86/382 Installing : gdbm-libs-1:1.18.1-5.fc33.aarch64 87/382 Installing : ruby-libs-2.7.2-135.fc34.aarch64 88/382 Installing : emacs-filesystem-1:27.1-2.fc34.noarch 89/382 Installing : adobe-mappings-cmap-20171205-9.fc33.noarch 90/382 Installing : adobe-mappings-cmap-deprecated-20171205-9.fc33.n 91/382 Installing : OpenEXR-libs-2.3.0-6.fc33.aarch64 92/382 Installing : libXau-devel-1.0.9-5.fc34.aarch64 93/382 Installing : libxcb-devel-1.13.1-6.fc34.aarch64 94/382 Installing : libdatrie-devel-0.2.9-13.fc34.aarch64 95/382 Installing : libthai-devel-0.1.28-5.fc33.aarch64 96/382 Installing : gettext-libs-0.21-3.fc34.aarch64 97/382 Installing : gettext-0.21-3.fc34.aarch64 98/382 Installing : python3-rpm-macros-3.9-10.fc34.noarch 99/382 Installing : enchant2-2.2.13-1.fc34.aarch64 100/382 Installing : perl-ExtUtils-Constant-0.25-465.fc34.noarch 101/382 Installing : LibRaw-0.20.2-1.fc34.aarch64 102/382 Installing : langpacks-core-font-en-3.0-5.fc34.noarch 103/382 Installing : fontconfig-2.13.92-12.fc33.aarch64 104/382 Running scriptlet: fontconfig-2.13.92-12.fc33.aarch64 104/382 Installing : graphite2-devel-1.3.14-6.fc34.aarch64 105/382 Installing : mesa-libgbm-20.2.2-1.fc34.aarch64 106/382 Installing : libglvnd-egl-1:1.3.2-2.fc33.aarch64 107/382 Installing : mesa-libEGL-20.2.2-1.fc34.aarch64 108/382 Installing : libglvnd-gles-1:1.3.2-2.fc33.aarch64 109/382 Installing : cpp-10.2.1-7.fc34.aarch64 110/382 Installing : libtheora-1:1.1.1-28.fc33.aarch64 111/382 Installing : libvorbis-1:1.3.7-2.fc33.aarch64 112/382 Installing : pixman-devel-0.40.0-2.fc33.aarch64 113/382 Installing : iso-codes-4.5.0-2.fc33.noarch 114/382 Installing : perl-ExtUtils-Command-2:7.52-1.fc34.noarch 115/382 Installing : perl-ExtUtils-Manifest-1:1.72-457.fc33.noarch 116/382 Installing : wayland-devel-1.18.0-2.fc33.aarch64 117/382 Installing : google-droid-sans-fonts-20200215-8.fc34.noarch 118/382 Installing : libicu-devel-67.1-4.fc33.aarch64 119/382 Installing : webkit2gtk3-jsc-2.30.2-1.fc34.aarch64 120/382 Installing : perl-Time-Local-2:1.300-4.fc33.noarch 121/382 Installing : libglvnd-opengl-1:1.3.2-2.fc33.aarch64 122/382 Installing : wxBase3-devel-3.0.5.1-2.fc33.aarch64 123/382 Running scriptlet: wxBase3-devel-3.0.5.1-2.fc33.aarch64 123/382 Installing : perl-SelectSaver-1.02-465.fc34.noarch 124/382 Installing : perl-locale-1.09-465.fc34.noarch 125/382 Installing : perl-AutoSplit-5.74-465.fc34.noarch 126/382 Installing : perl-macros-4:5.32.0-465.fc34.noarch 127/382 Installing : libnotify-0.7.9-3.fc33.aarch64 128/382 Installing : perl-Devel-PPPort-3.62-1.fc34.aarch64 129/382 Installing : perl-Pod-Escapes-1:1.07-457.fc33.noarch 130/382 Installing : perl-Benchmark-1.23-465.fc34.noarch 131/382 Installing : perl-Class-Struct-0.66-465.fc34.noarch 132/382 Installing : perl-DynaLoader-1.47-465.fc34.aarch64 133/382 Installing : perl-base-2.27-465.fc34.noarch 134/382 Installing : perl-lib-0.65-465.fc34.aarch64 135/382 Installing : perl-Fedora-VSP-0.001-20.fc33.noarch 136/382 Installing : perl-Getopt-Std-1.12-465.fc34.noarch 137/382 Installing : perl-mro-1.23-465.fc34.aarch64 138/382 Installing : perl-overload-1.31-465.fc34.noarch 139/382 Installing : perl-version-7:0.99.28-1.fc34.aarch64 140/382 Installing : perl-File-stat-1.09-465.fc34.noarch 141/382 Installing : perl-IO-1.43-465.fc34.aarch64 142/382 Installing : perl-File-Temp-1:0.231.100-1.fc34.noarch 143/382 Installing : perl-HTTP-Tiny-0.076-457.fc33.noarch 144/382 Installing : perl-IPC-Open3-1.21-465.fc34.noarch 145/382 Installing : perl-Storable-1:3.21-457.fc33.aarch64 146/382 Installing : perl-subs-1.03-465.fc34.noarch 147/382 Installing : graphene-1.10.2-5.fc34.aarch64 148/382 Installing : gsettings-desktop-schemas-3.38.0-1.fc34.aarch64 149/382 Installing : json-glib-1.6.0-1.fc34.aarch64 150/382 Installing : liblqr-1-0.4.2-15.fc33.aarch64 151/382 Installing : libsecret-0.20.3-2.fc33.aarch64 152/382 Installing : xz-devel-5.2.5-3.fc33.aarch64 153/382 Installing : libxml2-devel-2.9.10-7.fc34.aarch64 154/382 Installing : xkeyboard-config-2.31-2.fc34.noarch 155/382 Installing : libxkbcommon-1.0.1-1.fc34.aarch64 156/382 Installing : libwpe-1.8.0-1.fc34.aarch64 157/382 Installing : wpebackend-fdo-1.8.0-1.fc34.aarch64 158/382 Installing : libxkbcommon-devel-1.0.1-1.fc34.aarch64 159/382 Installing : wxGTK3-i18n-3.0.5.1-2.fc33.noarch 160/382 Installing : woff2-1.0.2-9.fc33.aarch64 161/382 Installing : wayland-protocols-devel-1.20-2.fc33.noarch 162/382 Installing : vim-filesystem-2:8.2.1961-1.fc34.noarch 163/382 Installing : systemd-rpm-macros-246.6-3.fc34.noarch 164/382 Installing : rhash-1.4.0-2.fc33.aarch64 165/382 Installing : qrencode-libs-4.0.2-6.fc33.aarch64 166/382 Installing : python-setuptools-wheel-50.3.2-1.fc34.noarch 167/382 Installing : python-pip-wheel-20.2.4-1.fc34.noarch 168/382 Installing : python3-setuptools-50.3.2-1.fc34.noarch 169/382 Installing : python3-3.9.0-1.fc34.aarch64 170/382 Installing : python3-libs-3.9.0-1.fc34.aarch64 171/382 Installing : cmake-rpm-macros-3.18.3-1.fc34.noarch 172/382 Installing : python3-pyparsing-2.4.7-4.fc33.noarch 173/382 Installing : systemtap-sdt-devel-4.4-0.20200922git05179173e71 174/382 Installing : python3-rpm-generators-11-12.fc34.noarch 175/382 Installing : pcre2-utf32-10.35-8.fc34.aarch64 176/382 Installing : pcre2-utf16-10.35-8.fc34.aarch64 177/382 Installing : pcre2-devel-10.35-8.fc34.aarch64 178/382 Installing : pcre-utf32-8.44-2.fc34.aarch64 179/382 Installing : pcre-utf16-8.44-2.fc34.aarch64 180/382 Installing : pcre-cpp-8.44-2.fc34.aarch64 181/382 Installing : pcre-devel-8.44-2.fc34.aarch64 182/382 Installing : orc-0.4.31-3.fc33.aarch64 183/382 Installing : opus-1.3.1-7.fc34.aarch64 184/382 Installing : nettle-3.6-3.fc33.aarch64 185/382 Installing : gnutls-3.6.15-2.fc34.aarch64 186/382 Installing : netpbm-10.92.00-1.fc34.aarch64 187/382 Installing : gts-0.7.6-38.20121130.fc33.aarch64 188/382 Installing : ncurses-6.2-3.20200222.fc33.aarch64 189/382 Installing : perl-Term-Cap-1.17-457.fc33.noarch 190/382 Installing : libyaml-0.2.5-3.fc33.aarch64 191/382 Installing : rubypick-1.1.1-13.fc33.noarch 192/382 Installing : ruby-2.7.2-135.fc34.aarch64 193/382 Installing : rubygem-openssl-2.1.2-135.fc34.aarch64 194/382 Installing : rubygem-psych-3.1.0-135.fc34.aarch64 195/382 Installing : rubygems-3.1.4-201.fc33.noarch 196/382 Installing : libxslt-1.1.34-4.fc34.aarch64 197/382 Installing : libwmf-lite-0.2.12-4.fc33.aarch64 198/382 Installing : libvisual-1:0.4.0-29.fc33.aarch64 199/382 Installing : libuv-1:1.40.0-1.fc34.aarch64 200/382 Installing : libusbx-1.0.23-2.fc33.aarch64 201/382 Installing : libgusb-0.3.5-1.fc33.aarch64 202/382 Installing : colord-libs-1.4.5-1.fc34.aarch64 203/382 Installing : libunwind-1.4.0-4.fc34.aarch64 204/382 Installing : gstreamer1-1.18.1-1.fc34.aarch64 205/382 Installing : libubsan-10.2.1-7.fc34.aarch64 206/382 Installing : libstdc++-devel-10.2.1-7.fc34.aarch64 207/382 Installing : libsepol-devel-3.1-4.fc34.aarch64 208/382 Installing : libselinux-devel-3.1-4.fc34.aarch64 209/382 Installing : libpaper-1.1.28-1.fc34.aarch64 210/382 Installing : libnl3-3.5.0-5.fc33.aarch64 211/382 Installing : libibverbs-core-32.0-1.fc34.aarch64 212/382 Installing : libpcap-14:1.9.1-6.fc34.aarch64 213/382 Installing : libnfnetlink-1.0.1-18.fc33.aarch64 214/382 Installing : libmspack-0.10.1-0.4.alpha.fc33.aarch64 215/382 Installing : libmodman-2.0.1-23.fc33.aarch64 216/382 Installing : libproxy-0.4.15-27.fc34.aarch64 217/382 Installing : glib-networking-2.66.0-1.fc34.aarch64 218/382 Installing : libsoup-2.72.0-3.fc34.aarch64 219/382 Installing : rest-0.8.1-8.fc33.aarch64 220/382 Installing : libmnl-1.0.4-12.fc33.aarch64 221/382 Installing : libnetfilter_conntrack-1.0.7-5.fc33.aarch64 222/382 Installing : iptables-libs-1.8.6-1.fc34.aarch64 223/382 Installing : libmcpp-2.7.2-26.fc33.aarch64 224/382 Installing : mcpp-2.7.2-26.fc33.aarch64 225/382 Installing : libimagequant-2.13.0-1.fc34.aarch64 226/382 Installing : libijs-0.35-12.fc33.aarch64 227/382 Installing : libglvnd-core-devel-1:1.3.2-2.fc33.aarch64 228/382 Installing : libfontenc-1.1.3-13.fc33.aarch64 229/382 Installing : xorg-x11-font-utils-1:7.5-46.fc34.aarch64 230/382 Installing : xorg-x11-fonts-ISO8859-1-100dpi-7.5-26.fc34.noar 231/382 Running scriptlet: xorg-x11-fonts-ISO8859-1-100dpi-7.5-26.fc34.noar 231/382 Installing : libffi-devel-3.1-26.fc33.aarch64 232/382 Installing : libevent-2.1.12-2.fc34.aarch64 233/382 Installing : avahi-libs-0.8-6.fc34.aarch64 234/382 Installing : cups-libs-1:2.3.3-17.fc34.aarch64 235/382 Installing : libcbor-0.7.0-2.fc34.aarch64 236/382 Installing : libfido2-1.5.0-2.fc34.aarch64 237/382 Installing : libblkid-devel-2.36-3.fc34.aarch64 238/382 Installing : libmount-devel-2.36-3.fc34.aarch64 239/382 Installing : glib2-devel-2.67.0-2.fc34.aarch64 240/382 Installing : atk-devel-2.36.0-2.fc33.aarch64 241/382 Installing : gdk-pixbuf2-devel-2.40.0-3.fc33.aarch64 242/382 Installing : libatomic-10.2.1-7.fc34.aarch64 243/382 Installing : libasan-10.2.1-7.fc34.aarch64 244/382 Installing : libargon2-20171227-5.fc33.aarch64 245/382 Installing : libX11-common-1.6.12-3.fc34.noarch 246/382 Installing : libX11-1.6.12-3.fc34.aarch64 247/382 Installing : libXext-1.3.4-5.fc34.aarch64 248/382 Installing : libX11-devel-1.6.12-3.fc34.aarch64 249/382 Installing : libXrender-0.9.10-13.fc34.aarch64 250/382 Installing : cairo-1.16.0-9.fc33.aarch64 251/382 Installing : libXext-devel-1.3.4-5.fc34.aarch64 252/382 Installing : libXfixes-5.0.3-13.fc34.aarch64 253/382 Installing : libXdamage-1.1.5-4.fc34.aarch64 254/382 Installing : libXfixes-devel-5.0.3-13.fc34.aarch64 255/382 Installing : libXrender-devel-0.9.10-13.fc34.aarch64 256/382 Installing : libXi-1.7.10-5.fc34.aarch64 257/382 Installing : libXcursor-1.2.0-4.fc34.aarch64 258/382 Installing : libXrandr-1.5.2-5.fc34.aarch64 259/382 Installing : libXinerama-1.1.4-7.fc34.aarch64 260/382 Installing : libXcomposite-0.4.5-4.fc34.aarch64 261/382 Installing : libXt-1.2.0-3.fc34.aarch64 262/382 Installing : libXmu-1.1.3-5.fc34.aarch64 263/382 Installing : libXi-devel-1.7.10-5.fc34.aarch64 264/382 Installing : cairo-gobject-1.16.0-9.fc33.aarch64 265/382 Installing : libXtst-1.2.3-12.fc33.aarch64 266/382 Installing : libXft-2.3.3-5.fc34.aarch64 267/382 Installing : pango-1.47.0-1.fc34.aarch64 268/382 Installing : librsvg2-2.50.1-1.fc34.aarch64 269/382 Installing : libXxf86vm-1.1.4-15.fc34.aarch64 270/382 Installing : xorg-x11-server-utils-7.7-37.fc34.aarch64 271/382 Installing : libXpm-3.5.13-3.fc33.aarch64 272/382 Installing : gd-2.3.0-3.fc33.aarch64 273/382 Installing : libXaw-1.0.13-16.fc34.aarch64 274/382 Installing : urw-base35-bookman-fonts-20200910-1.fc34.noarch 275/382 Running scriptlet: urw-base35-bookman-fonts-20200910-1.fc34.noarch 275/382 Installing : urw-base35-c059-fonts-20200910-1.fc34.noarch 276/382 Running scriptlet: urw-base35-c059-fonts-20200910-1.fc34.noarch 276/382 Installing : urw-base35-d050000l-fonts-20200910-1.fc34.noarch 277/382 Running scriptlet: urw-base35-d050000l-fonts-20200910-1.fc34.noarch 277/382 Installing : urw-base35-gothic-fonts-20200910-1.fc34.noarch 278/382 Running scriptlet: urw-base35-gothic-fonts-20200910-1.fc34.noarch 278/382 Installing : urw-base35-nimbus-mono-ps-fonts-20200910-1.fc34. 279/382 Running scriptlet: urw-base35-nimbus-mono-ps-fonts-20200910-1.fc34. 279/382 Installing : urw-base35-nimbus-roman-fonts-20200910-1.fc34.no 280/382 Running scriptlet: urw-base35-nimbus-roman-fonts-20200910-1.fc34.no 280/382 Installing : urw-base35-nimbus-sans-fonts-20200910-1.fc34.noa 281/382 Running scriptlet: urw-base35-nimbus-sans-fonts-20200910-1.fc34.noa 281/382 Installing : urw-base35-p052-fonts-20200910-1.fc34.noarch 282/382 Running scriptlet: urw-base35-p052-fonts-20200910-1.fc34.noarch 282/382 Installing : urw-base35-standard-symbols-ps-fonts-20200910-1. 283/382 Running scriptlet: urw-base35-standard-symbols-ps-fonts-20200910-1. 283/382 Installing : urw-base35-z003-fonts-20200910-1.fc34.noarch 284/382 Running scriptlet: urw-base35-z003-fonts-20200910-1.fc34.noarch 284/382 Installing : urw-base35-fonts-20200910-1.fc34.noarch 285/382 Installing : libglvnd-glx-1:1.3.2-2.fc33.aarch64 286/382 Installing : mesa-libGL-20.2.2-1.fc34.aarch64 287/382 Installing : libglvnd-devel-1:1.3.2-2.fc33.aarch64 288/382 Installing : libepoxy-devel-1.5.4-3.fc33.aarch64 289/382 Installing : mesa-libGLU-9.0.1-3.fc33.aarch64 290/382 Installing : gtk2-2.24.32-8.fc33.aarch64 291/382 Installing : lasi-1.1.3-4.fc33.aarch64 292/382 Installing : libXtst-devel-1.2.3-12.fc33.aarch64 293/382 Installing : libXcomposite-devel-0.4.5-4.fc34.aarch64 294/382 Installing : libXinerama-devel-1.1.4-7.fc34.aarch64 295/382 Installing : libXrandr-devel-1.5.2-5.fc34.aarch64 296/382 Installing : libXcursor-devel-1.2.0-4.fc34.aarch64 297/382 Installing : libXdamage-devel-1.1.5-4.fc34.aarch64 298/382 Installing : libXv-1.0.11-13.fc34.aarch64 299/382 Installing : kmod-libs-27-3.fc33.aarch64 300/382 Installing : kernel-headers-5.10.0-0.rc2.git0.1.fc34.aarch64 301/382 Installing : libxcrypt-devel-4.4.17-1.fc34.aarch64 302/382 Installing : glibc-devel-2.32.9000-14.fc34.aarch64 303/382 Installing : jsoncpp-1.9.4-2.fc34.aarch64 304/382 Installing : cmake-data-3.18.3-1.fc34.noarch 305/382 Installing : cmake-3.18.3-1.fc34.aarch64 306/382 Installing : json-c-0.14-7.fc33.aarch64 307/382 Installing : jbig2dec-libs-0.19-2.fc34.aarch64 308/382 Installing : isl-0.16.1-12.fc33.aarch64 309/382 Installing : gcc-10.2.1-7.fc34.aarch64 310/382 Installing : inchi-libs-1.0.5-10.fc33.aarch64 311/382 Installing : hyphen-2.8.8-14.fc33.aarch64 312/382 Running scriptlet: groff-base-1.22.4-4.fc34.aarch64 313/382 Installing : groff-base-1.22.4-4.fc34.aarch64 313/382 Running scriptlet: groff-base-1.22.4-4.fc34.aarch64 313/382 Installing : perl-Encode-4:3.07-457.fc33.aarch64 314/382 Installing : perl-Pod-Simple-1:3.41-459.fc34.noarch 315/382 Installing : perl-Getopt-Long-1:2.52-1.fc34.noarch 316/382 Installing : perl-podlators-1:4.14-457.fc33.noarch 317/382 Installing : perl-Pod-Perldoc-3.28.01-458.fc33.noarch 318/382 Installing : perl-Pod-Usage-4:2.01-1.fc34.noarch 319/382 Installing : perl-ExtUtils-ParseXS-1:3.40-457.fc33.noarch 320/382 Installing : perl-Test-Harness-1:3.42-458.fc33.noarch 321/382 Installing : perl-devel-4:5.32.0-465.fc34.aarch64 322/382 Installing : perl-ExtUtils-Install-2.18-1.fc34.noarch 323/382 Installing : perl-ExtUtils-MakeMaker-2:7.52-1.fc34.noarch 324/382 Installing : gl-manpages-1.1-21.20190306.fc33.noarch 325/382 Installing : mesa-libGLU-devel-9.0.1-3.fc33.aarch64 326/382 Installing : fftw-libs-double-3.3.8-9.fc34.aarch64 327/382 Installing : cdparanoia-libs-10.2-35.fc34.aarch64 328/382 Installing : bzip2-devel-1.0.8-4.fc33.aarch64 329/382 Installing : bubblewrap-0.4.1-2.fc33.aarch64 330/382 Installing : brotli-1.0.9-3.fc34.aarch64 331/382 Installing : brotli-devel-1.0.9-3.fc34.aarch64 332/382 Installing : freetype-devel-2.10.4-1.fc34.aarch64 333/382 Installing : fontconfig-devel-2.13.92-12.fc33.aarch64 334/382 Installing : cairo-devel-1.16.0-9.fc33.aarch64 335/382 Installing : cairo-gobject-devel-1.16.0-9.fc33.aarch64 336/382 Installing : libXft-devel-2.3.3-5.fc34.aarch64 337/382 Installing : harfbuzz-devel-2.7.2-1.fc34.aarch64 338/382 Installing : pango-devel-1.47.0-1.fc34.aarch64 339/382 Installing : alsa-lib-1.2.4-4.fc34.aarch64 340/382 Installing : gstreamer1-plugins-base-1.18.1-1.fc34.aarch64 341/382 Installing : adwaita-cursor-theme-3.38.0-1.fc34.noarch 342/382 Installing : adwaita-icon-theme-3.38.0-1.fc34.noarch 343/382 Installing : adobe-mappings-pdf-20180407-7.fc33.noarch 344/382 Installing : libgs-9.53.3-2.fc34.aarch64 345/382 Installing : graphviz-2.44.0-14.fc34.aarch64 346/382 Running scriptlet: graphviz-2.44.0-14.fc34.aarch64 346/382 Installing : ImageMagick-libs-1:6.9.11.27-1.fc33.aarch64 347/382 Installing : acl-2.2.53-9.fc34.aarch64 348/382 Installing : device-mapper-1.02.173-1.fc33.aarch64 349/382 Installing : device-mapper-libs-1.02.173-1.fc33.aarch64 350/382 Installing : cryptsetup-libs-2.3.4-1.fc34.aarch64 351/382 Installing : dbus-1:1.12.20-2.fc33.aarch64 352/382 Installing : systemd-pam-246.6-3.fc34.aarch64 353/382 Running scriptlet: systemd-246.6-3.fc34.aarch64 354/382 Installing : systemd-246.6-3.fc34.aarch64 354/382 Running scriptlet: systemd-246.6-3.fc34.aarch64 354/382 Installing : dbus-common-1:1.12.20-2.fc33.noarch 355/382 Running scriptlet: dbus-common-1:1.12.20-2.fc33.noarch 355/382 Created symlink /etc/systemd/system/sockets.target.wants/dbus.socket → /usr/lib/systemd/system/dbus.socket. Created symlink /etc/systemd/user/sockets.target.wants/dbus.socket → /usr/lib/systemd/user/dbus.socket. Running scriptlet: dbus-broker-24-1.fc34.aarch64 356/382 Installing : dbus-broker-24-1.fc34.aarch64 356/382 Running scriptlet: dbus-broker-24-1.fc34.aarch64 356/382 Created symlink /etc/systemd/system/dbus.service → /usr/lib/systemd/system/dbus-broker.service. Created symlink /etc/systemd/user/dbus.service → /usr/lib/systemd/user/dbus-broker.service. Installing : at-spi2-core-2.38.0-2.fc34.aarch64 357/382 Installing : at-spi2-atk-2.38.0-1.fc34.aarch64 358/382 Installing : gtk3-3.24.23-1.fc34.aarch64 359/382 Installing : at-spi2-core-devel-2.38.0-2.fc34.aarch64 360/382 Installing : at-spi2-atk-devel-2.38.0-1.fc34.aarch64 361/382 Installing : gtk3-devel-3.24.23-1.fc34.aarch64 362/382 Installing : xdg-dbus-proxy-0.1.2-3.fc33.aarch64 363/382 Installing : webkit2gtk3-2.30.2-1.fc34.aarch64 364/382 Installing : SDL2-2.0.12-4.fc33.aarch64 365/382 Installing : wxGTK3-3.0.5.1-2.fc33.aarch64 366/382 Installing : wxGTK3-gl-3.0.5.1-2.fc33.aarch64 367/382 Installing : wxGTK3-media-3.0.5.1-2.fc33.aarch64 368/382 Installing : wxGTK3-webview-3.0.5.1-2.fc33.aarch64 369/382 Installing : wxGTK3-devel-3.0.5.1-2.fc33.aarch64 370/382 Installing : ImageMagick-1:6.9.11.27-1.fc33.aarch64 371/382 Installing : inchi-devel-1.0.5-10.fc33.aarch64 372/382 Installing : annobin-9.38-1.fc34.aarch64 373/382 Installing : gcc-c++-10.2.1-7.fc34.aarch64 374/382 Installing : ruby-devel-2.7.2-135.fc34.aarch64 375/382 Installing : python3-devel-3.9.0-1.fc34.aarch64 376/382 Installing : perl-generators-1.11-9.fc33.noarch 377/382 Installing : desktop-file-utils-0.26-2.fc33.aarch64 378/382 Installing : eigen3-devel-3.3.8-2.fc34.noarch 379/382 Installing : rapidjson-devel-1.1.0-15.fc34.aarch64 380/382 Installing : swig-4.0.2-3.fc34.aarch64 381/382 Installing : dos2unix-7.4.2-1.fc34.aarch64 382/382 Running scriptlet: fontconfig-2.13.92-12.fc33.aarch64 382/382 Running scriptlet: urw-base35-bookman-fonts-20200910-1.fc34.noarch 382/382 Running scriptlet: urw-base35-c059-fonts-20200910-1.fc34.noarch 382/382 Running scriptlet: urw-base35-d050000l-fonts-20200910-1.fc34.noarch 382/382 Running scriptlet: urw-base35-gothic-fonts-20200910-1.fc34.noarch 382/382 Running scriptlet: urw-base35-nimbus-mono-ps-fonts-20200910-1.fc34. 382/382 Running scriptlet: urw-base35-nimbus-roman-fonts-20200910-1.fc34.no 382/382 Running scriptlet: urw-base35-nimbus-sans-fonts-20200910-1.fc34.noa 382/382 Running scriptlet: urw-base35-p052-fonts-20200910-1.fc34.noarch 382/382 Running scriptlet: urw-base35-standard-symbols-ps-fonts-20200910-1. 382/382 Running scriptlet: urw-base35-z003-fonts-20200910-1.fc34.noarch 382/382 Running scriptlet: dos2unix-7.4.2-1.fc34.aarch64 382/382 Verifying : ImageMagick-1:6.9.11.27-1.fc33.aarch64 1/382 Verifying : ImageMagick-libs-1:6.9.11.27-1.fc33.aarch64 2/382 Verifying : LibRaw-0.20.2-1.fc34.aarch64 3/382 Verifying : OpenEXR-libs-2.3.0-6.fc33.aarch64 4/382 Verifying : SDL2-2.0.12-4.fc33.aarch64 5/382 Verifying : acl-2.2.53-9.fc34.aarch64 6/382 Verifying : adobe-mappings-cmap-20171205-9.fc33.noarch 7/382 Verifying : adobe-mappings-cmap-deprecated-20171205-9.fc33.n 8/382 Verifying : adobe-mappings-pdf-20180407-7.fc33.noarch 9/382 Verifying : adwaita-cursor-theme-3.38.0-1.fc34.noarch 10/382 Verifying : adwaita-icon-theme-3.38.0-1.fc34.noarch 11/382 Verifying : alsa-lib-1.2.4-4.fc34.aarch64 12/382 Verifying : annobin-9.38-1.fc34.aarch64 13/382 Verifying : at-spi2-atk-2.38.0-1.fc34.aarch64 14/382 Verifying : at-spi2-atk-devel-2.38.0-1.fc34.aarch64 15/382 Verifying : at-spi2-core-2.38.0-2.fc34.aarch64 16/382 Verifying : at-spi2-core-devel-2.38.0-2.fc34.aarch64 17/382 Verifying : atk-2.36.0-2.fc33.aarch64 18/382 Verifying : atk-devel-2.36.0-2.fc33.aarch64 19/382 Verifying : avahi-libs-0.8-6.fc34.aarch64 20/382 Verifying : brotli-1.0.9-3.fc34.aarch64 21/382 Verifying : brotli-devel-1.0.9-3.fc34.aarch64 22/382 Verifying : bubblewrap-0.4.1-2.fc33.aarch64 23/382 Verifying : bzip2-devel-1.0.8-4.fc33.aarch64 24/382 Verifying : cairo-1.16.0-9.fc33.aarch64 25/382 Verifying : cairo-devel-1.16.0-9.fc33.aarch64 26/382 Verifying : cairo-gobject-1.16.0-9.fc33.aarch64 27/382 Verifying : cairo-gobject-devel-1.16.0-9.fc33.aarch64 28/382 Verifying : cdparanoia-libs-10.2-35.fc34.aarch64 29/382 Verifying : cmake-3.18.3-1.fc34.aarch64 30/382 Verifying : cmake-data-3.18.3-1.fc34.noarch 31/382 Verifying : cmake-filesystem-3.18.3-1.fc34.aarch64 32/382 Verifying : cmake-rpm-macros-3.18.3-1.fc34.noarch 33/382 Verifying : colord-libs-1.4.5-1.fc34.aarch64 34/382 Verifying : cpp-10.2.1-7.fc34.aarch64 35/382 Verifying : cryptsetup-libs-2.3.4-1.fc34.aarch64 36/382 Verifying : cups-libs-1:2.3.3-17.fc34.aarch64 37/382 Verifying : dbus-1:1.12.20-2.fc33.aarch64 38/382 Verifying : dbus-broker-24-1.fc34.aarch64 39/382 Verifying : dbus-common-1:1.12.20-2.fc33.noarch 40/382 Verifying : dbus-devel-1:1.12.20-2.fc33.aarch64 41/382 Verifying : dbus-libs-1:1.12.20-2.fc33.aarch64 42/382 Verifying : dejavu-sans-fonts-2.37-15.fc34.noarch 43/382 Verifying : desktop-file-utils-0.26-2.fc33.aarch64 44/382 Verifying : device-mapper-1.02.173-1.fc33.aarch64 45/382 Verifying : device-mapper-libs-1.02.173-1.fc33.aarch64 46/382 Verifying : dos2unix-7.4.2-1.fc34.aarch64 47/382 Verifying : eigen3-devel-3.3.8-2.fc34.noarch 48/382 Verifying : emacs-filesystem-1:27.1-2.fc34.noarch 49/382 Verifying : enchant2-2.2.13-1.fc34.aarch64 50/382 Verifying : fftw-libs-double-3.3.8-9.fc34.aarch64 51/382 Verifying : fontconfig-2.13.92-12.fc33.aarch64 52/382 Verifying : fontconfig-devel-2.13.92-12.fc33.aarch64 53/382 Verifying : fonts-filesystem-1:2.0.5-4.fc33.noarch 54/382 Verifying : freetype-2.10.4-1.fc34.aarch64 55/382 Verifying : freetype-devel-2.10.4-1.fc34.aarch64 56/382 Verifying : fribidi-1.0.10-3.fc33.aarch64 57/382 Verifying : fribidi-devel-1.0.10-3.fc33.aarch64 58/382 Verifying : gcc-10.2.1-7.fc34.aarch64 59/382 Verifying : gcc-c++-10.2.1-7.fc34.aarch64 60/382 Verifying : gd-2.3.0-3.fc33.aarch64 61/382 Verifying : gdbm-libs-1:1.18.1-5.fc33.aarch64 62/382 Verifying : gdk-pixbuf2-2.40.0-3.fc33.aarch64 63/382 Verifying : gdk-pixbuf2-devel-2.40.0-3.fc33.aarch64 64/382 Verifying : gdk-pixbuf2-modules-2.40.0-3.fc33.aarch64 65/382 Verifying : gettext-0.21-3.fc34.aarch64 66/382 Verifying : gettext-libs-0.21-3.fc34.aarch64 67/382 Verifying : gl-manpages-1.1-21.20190306.fc33.noarch 68/382 Verifying : glib-networking-2.66.0-1.fc34.aarch64 69/382 Verifying : glib2-2.67.0-2.fc34.aarch64 70/382 Verifying : glib2-devel-2.67.0-2.fc34.aarch64 71/382 Verifying : glibc-devel-2.32.9000-14.fc34.aarch64 72/382 Verifying : gnutls-3.6.15-2.fc34.aarch64 73/382 Verifying : google-droid-sans-fonts-20200215-8.fc34.noarch 74/382 Verifying : graphene-1.10.2-5.fc34.aarch64 75/382 Verifying : graphite2-1.3.14-6.fc34.aarch64 76/382 Verifying : graphite2-devel-1.3.14-6.fc34.aarch64 77/382 Verifying : graphviz-2.44.0-14.fc34.aarch64 78/382 Verifying : groff-base-1.22.4-4.fc34.aarch64 79/382 Verifying : gsettings-desktop-schemas-3.38.0-1.fc34.aarch64 80/382 Verifying : gstreamer1-1.18.1-1.fc34.aarch64 81/382 Verifying : gstreamer1-plugins-base-1.18.1-1.fc34.aarch64 82/382 Verifying : gtk-update-icon-cache-3.24.23-1.fc34.aarch64 83/382 Verifying : gtk2-2.24.32-8.fc33.aarch64 84/382 Verifying : gtk3-3.24.23-1.fc34.aarch64 85/382 Verifying : gtk3-devel-3.24.23-1.fc34.aarch64 86/382 Verifying : gts-0.7.6-38.20121130.fc33.aarch64 87/382 Verifying : harfbuzz-2.7.2-1.fc34.aarch64 88/382 Verifying : harfbuzz-devel-2.7.2-1.fc34.aarch64 89/382 Verifying : harfbuzz-icu-2.7.2-1.fc34.aarch64 90/382 Verifying : hicolor-icon-theme-0.17-9.fc33.noarch 91/382 Verifying : hunspell-1.7.0-7.fc33.aarch64 92/382 Verifying : hunspell-en-US-0.20140811.1-17.fc33.noarch 93/382 Verifying : hyphen-2.8.8-14.fc33.aarch64 94/382 Verifying : ilmbase-2.3.0-5.fc33.aarch64 95/382 Verifying : inchi-devel-1.0.5-10.fc33.aarch64 96/382 Verifying : inchi-libs-1.0.5-10.fc33.aarch64 97/382 Verifying : iptables-libs-1.8.6-1.fc34.aarch64 98/382 Verifying : isl-0.16.1-12.fc33.aarch64 99/382 Verifying : iso-codes-4.5.0-2.fc33.noarch 100/382 Verifying : jasper-libs-2.0.22-1.fc34.aarch64 101/382 Verifying : jbig2dec-libs-0.19-2.fc34.aarch64 102/382 Verifying : jbigkit-libs-2.1-20.fc34.aarch64 103/382 Verifying : json-c-0.14-7.fc33.aarch64 104/382 Verifying : json-glib-1.6.0-1.fc34.aarch64 105/382 Verifying : jsoncpp-1.9.4-2.fc34.aarch64 106/382 Verifying : kernel-headers-5.10.0-0.rc2.git0.1.fc34.aarch64 107/382 Verifying : kmod-libs-27-3.fc33.aarch64 108/382 Verifying : langpacks-core-font-en-3.0-5.fc34.noarch 109/382 Verifying : lasi-1.1.3-4.fc33.aarch64 110/382 Verifying : lcms2-2.11-2.fc33.aarch64 111/382 Verifying : libICE-1.0.10-4.fc33.aarch64 112/382 Verifying : libSM-1.2.3-6.fc33.aarch64 113/382 Verifying : libX11-1.6.12-3.fc34.aarch64 114/382 Verifying : libX11-common-1.6.12-3.fc34.noarch 115/382 Verifying : libX11-devel-1.6.12-3.fc34.aarch64 116/382 Verifying : libX11-xcb-1.6.12-3.fc34.aarch64 117/382 Verifying : libXau-1.0.9-5.fc34.aarch64 118/382 Verifying : libXau-devel-1.0.9-5.fc34.aarch64 119/382 Verifying : libXaw-1.0.13-16.fc34.aarch64 120/382 Verifying : libXcomposite-0.4.5-4.fc34.aarch64 121/382 Verifying : libXcomposite-devel-0.4.5-4.fc34.aarch64 122/382 Verifying : libXcursor-1.2.0-4.fc34.aarch64 123/382 Verifying : libXcursor-devel-1.2.0-4.fc34.aarch64 124/382 Verifying : libXdamage-1.1.5-4.fc34.aarch64 125/382 Verifying : libXdamage-devel-1.1.5-4.fc34.aarch64 126/382 Verifying : libXext-1.3.4-5.fc34.aarch64 127/382 Verifying : libXext-devel-1.3.4-5.fc34.aarch64 128/382 Verifying : libXfixes-5.0.3-13.fc34.aarch64 129/382 Verifying : libXfixes-devel-5.0.3-13.fc34.aarch64 130/382 Verifying : libXft-2.3.3-5.fc34.aarch64 131/382 Verifying : libXft-devel-2.3.3-5.fc34.aarch64 132/382 Verifying : libXi-1.7.10-5.fc34.aarch64 133/382 Verifying : libXi-devel-1.7.10-5.fc34.aarch64 134/382 Verifying : libXinerama-1.1.4-7.fc34.aarch64 135/382 Verifying : libXinerama-devel-1.1.4-7.fc34.aarch64 136/382 Verifying : libXmu-1.1.3-5.fc34.aarch64 137/382 Verifying : libXpm-3.5.13-3.fc33.aarch64 138/382 Verifying : libXrandr-1.5.2-5.fc34.aarch64 139/382 Verifying : libXrandr-devel-1.5.2-5.fc34.aarch64 140/382 Verifying : libXrender-0.9.10-13.fc34.aarch64 141/382 Verifying : libXrender-devel-0.9.10-13.fc34.aarch64 142/382 Verifying : libXt-1.2.0-3.fc34.aarch64 143/382 Verifying : libXtst-1.2.3-12.fc33.aarch64 144/382 Verifying : libXtst-devel-1.2.3-12.fc33.aarch64 145/382 Verifying : libXv-1.0.11-13.fc34.aarch64 146/382 Verifying : libXxf86vm-1.1.4-15.fc34.aarch64 147/382 Verifying : libargon2-20171227-5.fc33.aarch64 148/382 Verifying : libasan-10.2.1-7.fc34.aarch64 149/382 Verifying : libatomic-10.2.1-7.fc34.aarch64 150/382 Verifying : libblkid-devel-2.36-3.fc34.aarch64 151/382 Verifying : libcbor-0.7.0-2.fc34.aarch64 152/382 Verifying : libdatrie-0.2.9-13.fc34.aarch64 153/382 Verifying : libdatrie-devel-0.2.9-13.fc34.aarch64 154/382 Verifying : libdrm-2.4.103-1.fc34.aarch64 155/382 Verifying : libepoxy-1.5.4-3.fc33.aarch64 156/382 Verifying : libepoxy-devel-1.5.4-3.fc33.aarch64 157/382 Verifying : libevent-2.1.12-2.fc34.aarch64 158/382 Verifying : libffi-devel-3.1-26.fc33.aarch64 159/382 Verifying : libfido2-1.5.0-2.fc34.aarch64 160/382 Verifying : libfontenc-1.1.3-13.fc33.aarch64 161/382 Verifying : libglvnd-1:1.3.2-2.fc33.aarch64 162/382 Verifying : libglvnd-core-devel-1:1.3.2-2.fc33.aarch64 163/382 Verifying : libglvnd-devel-1:1.3.2-2.fc33.aarch64 164/382 Verifying : libglvnd-egl-1:1.3.2-2.fc33.aarch64 165/382 Verifying : libglvnd-gles-1:1.3.2-2.fc33.aarch64 166/382 Verifying : libglvnd-glx-1:1.3.2-2.fc33.aarch64 167/382 Verifying : libglvnd-opengl-1:1.3.2-2.fc33.aarch64 168/382 Verifying : libgs-9.53.3-2.fc34.aarch64 169/382 Verifying : libgusb-0.3.5-1.fc33.aarch64 170/382 Verifying : libibverbs-core-32.0-1.fc34.aarch64 171/382 Verifying : libicu-67.1-4.fc33.aarch64 172/382 Verifying : libicu-devel-67.1-4.fc33.aarch64 173/382 Verifying : libijs-0.35-12.fc33.aarch64 174/382 Verifying : libimagequant-2.13.0-1.fc34.aarch64 175/382 Verifying : libjpeg-turbo-2.0.5-5.fc33.aarch64 176/382 Verifying : liblqr-1-0.4.2-15.fc33.aarch64 177/382 Verifying : libmcpp-2.7.2-26.fc33.aarch64 178/382 Verifying : libmnl-1.0.4-12.fc33.aarch64 179/382 Verifying : libmodman-2.0.1-23.fc33.aarch64 180/382 Verifying : libmount-devel-2.36-3.fc34.aarch64 181/382 Verifying : libmpc-1.1.0-9.fc33.aarch64 182/382 Verifying : libmspack-0.10.1-0.4.alpha.fc33.aarch64 183/382 Verifying : libnetfilter_conntrack-1.0.7-5.fc33.aarch64 184/382 Verifying : libnfnetlink-1.0.1-18.fc33.aarch64 185/382 Verifying : libnl3-3.5.0-5.fc33.aarch64 186/382 Verifying : libnotify-0.7.9-3.fc33.aarch64 187/382 Verifying : libogg-2:1.3.4-3.fc33.aarch64 188/382 Verifying : libpaper-1.1.28-1.fc34.aarch64 189/382 Verifying : libpcap-14:1.9.1-6.fc34.aarch64 190/382 Verifying : libpng-2:1.6.37-6.fc34.aarch64 191/382 Verifying : libpng-devel-2:1.6.37-6.fc34.aarch64 192/382 Verifying : libproxy-0.4.15-27.fc34.aarch64 193/382 Verifying : libraqm-0.7.0-6.fc33.aarch64 194/382 Verifying : librsvg2-2.50.1-1.fc34.aarch64 195/382 Verifying : libseccomp-2.5.0-3.fc33.aarch64 196/382 Verifying : libsecret-0.20.3-2.fc33.aarch64 197/382 Verifying : libselinux-devel-3.1-4.fc34.aarch64 198/382 Verifying : libsepol-devel-3.1-4.fc34.aarch64 199/382 Verifying : libsoup-2.72.0-3.fc34.aarch64 200/382 Verifying : libstdc++-devel-10.2.1-7.fc34.aarch64 201/382 Verifying : libtextstyle-0.21-3.fc34.aarch64 202/382 Verifying : libthai-0.1.28-5.fc33.aarch64 203/382 Verifying : libthai-devel-0.1.28-5.fc33.aarch64 204/382 Verifying : libtheora-1:1.1.1-28.fc33.aarch64 205/382 Verifying : libtiff-4.1.0-5.fc34.aarch64 206/382 Verifying : libubsan-10.2.1-7.fc34.aarch64 207/382 Verifying : libunwind-1.4.0-4.fc34.aarch64 208/382 Verifying : libusbx-1.0.23-2.fc33.aarch64 209/382 Verifying : libuv-1:1.40.0-1.fc34.aarch64 210/382 Verifying : libvisual-1:0.4.0-29.fc33.aarch64 211/382 Verifying : libvorbis-1:1.3.7-2.fc33.aarch64 212/382 Verifying : libwayland-client-1.18.0-2.fc33.aarch64 213/382 Verifying : libwayland-cursor-1.18.0-2.fc33.aarch64 214/382 Verifying : libwayland-egl-1.18.0-2.fc33.aarch64 215/382 Verifying : libwayland-server-1.18.0-2.fc33.aarch64 216/382 Verifying : libwebp-1.1.0-5.fc33.aarch64 217/382 Verifying : libwmf-lite-0.2.12-4.fc33.aarch64 218/382 Verifying : libwpe-1.8.0-1.fc34.aarch64 219/382 Verifying : libxcb-1.13.1-6.fc34.aarch64 220/382 Verifying : libxcb-devel-1.13.1-6.fc34.aarch64 221/382 Verifying : libxcrypt-devel-4.4.17-1.fc34.aarch64 222/382 Verifying : libxkbcommon-1.0.1-1.fc34.aarch64 223/382 Verifying : libxkbcommon-devel-1.0.1-1.fc34.aarch64 224/382 Verifying : libxml2-devel-2.9.10-7.fc34.aarch64 225/382 Verifying : libxshmfence-1.3-7.fc33.aarch64 226/382 Verifying : libxslt-1.1.34-4.fc34.aarch64 227/382 Verifying : libyaml-0.2.5-3.fc33.aarch64 228/382 Verifying : mcpp-2.7.2-26.fc33.aarch64 229/382 Verifying : mesa-libEGL-20.2.2-1.fc34.aarch64 230/382 Verifying : mesa-libGL-20.2.2-1.fc34.aarch64 231/382 Verifying : mesa-libGLU-9.0.1-3.fc33.aarch64 232/382 Verifying : mesa-libGLU-devel-9.0.1-3.fc33.aarch64 233/382 Verifying : mesa-libgbm-20.2.2-1.fc34.aarch64 234/382 Verifying : mesa-libglapi-20.2.2-1.fc34.aarch64 235/382 Verifying : ncurses-6.2-3.20200222.fc33.aarch64 236/382 Verifying : netpbm-10.92.00-1.fc34.aarch64 237/382 Verifying : nettle-3.6-3.fc33.aarch64 238/382 Verifying : openjpeg2-2.3.1-7.fc33.aarch64 239/382 Verifying : opus-1.3.1-7.fc34.aarch64 240/382 Verifying : orc-0.4.31-3.fc33.aarch64 241/382 Verifying : pango-1.47.0-1.fc34.aarch64 242/382 Verifying : pango-devel-1.47.0-1.fc34.aarch64 243/382 Verifying : pcre-cpp-8.44-2.fc34.aarch64 244/382 Verifying : pcre-devel-8.44-2.fc34.aarch64 245/382 Verifying : pcre-utf16-8.44-2.fc34.aarch64 246/382 Verifying : pcre-utf32-8.44-2.fc34.aarch64 247/382 Verifying : pcre2-devel-10.35-8.fc34.aarch64 248/382 Verifying : pcre2-utf16-10.35-8.fc34.aarch64 249/382 Verifying : pcre2-utf32-10.35-8.fc34.aarch64 250/382 Verifying : perl-AutoSplit-5.74-465.fc34.noarch 251/382 Verifying : perl-B-1.80-465.fc34.aarch64 252/382 Verifying : perl-Benchmark-1.23-465.fc34.noarch 253/382 Verifying : perl-Carp-1.50-457.fc33.noarch 254/382 Verifying : perl-Class-Struct-0.66-465.fc34.noarch 255/382 Verifying : perl-Data-Dumper-2.174-459.fc34.aarch64 256/382 Verifying : perl-Devel-PPPort-3.62-1.fc34.aarch64 257/382 Verifying : perl-DynaLoader-1.47-465.fc34.aarch64 258/382 Verifying : perl-Encode-4:3.07-457.fc33.aarch64 259/382 Verifying : perl-Errno-1.30-465.fc34.aarch64 260/382 Verifying : perl-Exporter-5.74-458.fc33.noarch 261/382 Verifying : perl-ExtUtils-Command-2:7.52-1.fc34.noarch 262/382 Verifying : perl-ExtUtils-Constant-0.25-465.fc34.noarch 263/382 Verifying : perl-ExtUtils-Install-2.18-1.fc34.noarch 264/382 Verifying : perl-ExtUtils-MakeMaker-2:7.52-1.fc34.noarch 265/382 Verifying : perl-ExtUtils-Manifest-1:1.72-457.fc33.noarch 266/382 Verifying : perl-ExtUtils-ParseXS-1:3.40-457.fc33.noarch 267/382 Verifying : perl-Fcntl-1.13-465.fc34.aarch64 268/382 Verifying : perl-Fedora-VSP-0.001-20.fc33.noarch 269/382 Verifying : perl-File-Basename-2.85-465.fc34.noarch 270/382 Verifying : perl-File-Compare-1.100.600-465.fc34.noarch 271/382 Verifying : perl-File-Copy-2.34-465.fc34.noarch 272/382 Verifying : perl-File-Find-1.37-465.fc34.noarch 273/382 Verifying : perl-File-Path-2.18-1.fc34.noarch 274/382 Verifying : perl-File-Temp-1:0.231.100-1.fc34.noarch 275/382 Verifying : perl-File-stat-1.09-465.fc34.noarch 276/382 Verifying : perl-Getopt-Long-1:2.52-1.fc34.noarch 277/382 Verifying : perl-Getopt-Std-1.12-465.fc34.noarch 278/382 Verifying : perl-HTTP-Tiny-0.076-457.fc33.noarch 279/382 Verifying : perl-IO-1.43-465.fc34.aarch64 280/382 Verifying : perl-IPC-Open3-1.21-465.fc34.noarch 281/382 Verifying : perl-MIME-Base64-3.16-1.fc34.aarch64 282/382 Verifying : perl-POSIX-1.94-465.fc34.aarch64 283/382 Verifying : perl-PathTools-3.78-458.fc34.aarch64 284/382 Verifying : perl-Pod-Escapes-1:1.07-457.fc33.noarch 285/382 Verifying : perl-Pod-Perldoc-3.28.01-458.fc33.noarch 286/382 Verifying : perl-Pod-Simple-1:3.41-459.fc34.noarch 287/382 Verifying : perl-Pod-Usage-4:2.01-1.fc34.noarch 288/382 Verifying : perl-Scalar-List-Utils-4:1.55-457.fc33.aarch64 289/382 Verifying : perl-SelectSaver-1.02-465.fc34.noarch 290/382 Verifying : perl-Socket-4:2.030-2.fc33.aarch64 291/382 Verifying : perl-Storable-1:3.21-457.fc33.aarch64 292/382 Verifying : perl-Symbol-1.08-465.fc34.noarch 293/382 Verifying : perl-Term-ANSIColor-5.01-458.fc33.noarch 294/382 Verifying : perl-Term-Cap-1.17-457.fc33.noarch 295/382 Verifying : perl-Test-Harness-1:3.42-458.fc33.noarch 296/382 Verifying : perl-Text-ParseWords-3.30-457.fc33.noarch 297/382 Verifying : perl-Text-Tabs+Wrap-2013.0523-457.fc33.noarch 298/382 Verifying : perl-Time-Local-2:1.300-4.fc33.noarch 299/382 Verifying : perl-base-2.27-465.fc34.noarch 300/382 Verifying : perl-constant-1.33-458.fc33.noarch 301/382 Verifying : perl-devel-4:5.32.0-465.fc34.aarch64 302/382 Verifying : perl-generators-1.11-9.fc33.noarch 303/382 Verifying : perl-if-0.60.800-465.fc34.noarch 304/382 Verifying : perl-interpreter-4:5.32.0-465.fc34.aarch64 305/382 Verifying : perl-lib-0.65-465.fc34.aarch64 306/382 Verifying : perl-libs-4:5.32.0-465.fc34.aarch64 307/382 Verifying : perl-locale-1.09-465.fc34.noarch 308/382 Verifying : perl-macros-4:5.32.0-465.fc34.noarch 309/382 Verifying : perl-mro-1.23-465.fc34.aarch64 310/382 Verifying : perl-overload-1.31-465.fc34.noarch 311/382 Verifying : perl-overloading-0.02-465.fc34.noarch 312/382 Verifying : perl-parent-1:0.238-457.fc33.noarch 313/382 Verifying : perl-podlators-1:4.14-457.fc33.noarch 314/382 Verifying : perl-subs-1.03-465.fc34.noarch 315/382 Verifying : perl-vars-1.05-465.fc34.noarch 316/382 Verifying : perl-version-7:0.99.28-1.fc34.aarch64 317/382 Verifying : pixman-0.40.0-2.fc33.aarch64 318/382 Verifying : pixman-devel-0.40.0-2.fc33.aarch64 319/382 Verifying : python-pip-wheel-20.2.4-1.fc34.noarch 320/382 Verifying : python-rpm-macros-3.9-10.fc34.noarch 321/382 Verifying : python-setuptools-wheel-50.3.2-1.fc34.noarch 322/382 Verifying : python3-3.9.0-1.fc34.aarch64 323/382 Verifying : python3-devel-3.9.0-1.fc34.aarch64 324/382 Verifying : python3-libs-3.9.0-1.fc34.aarch64 325/382 Verifying : python3-pyparsing-2.4.7-4.fc33.noarch 326/382 Verifying : python3-rpm-generators-11-12.fc34.noarch 327/382 Verifying : python3-rpm-macros-3.9-10.fc34.noarch 328/382 Verifying : python3-setuptools-50.3.2-1.fc34.noarch 329/382 Verifying : qrencode-libs-4.0.2-6.fc33.aarch64 330/382 Verifying : rapidjson-devel-1.1.0-15.fc34.aarch64 331/382 Verifying : rest-0.8.1-8.fc33.aarch64 332/382 Verifying : rhash-1.4.0-2.fc33.aarch64 333/382 Verifying : ruby-2.7.2-135.fc34.aarch64 334/382 Verifying : ruby-devel-2.7.2-135.fc34.aarch64 335/382 Verifying : ruby-libs-2.7.2-135.fc34.aarch64 336/382 Verifying : rubygem-openssl-2.1.2-135.fc34.aarch64 337/382 Verifying : rubygem-psych-3.1.0-135.fc34.aarch64 338/382 Verifying : rubygems-3.1.4-201.fc33.noarch 339/382 Verifying : rubypick-1.1.1-13.fc33.noarch 340/382 Verifying : shared-mime-info-2.0-4.fc34.aarch64 341/382 Verifying : swig-4.0.2-3.fc34.aarch64 342/382 Verifying : systemd-246.6-3.fc34.aarch64 343/382 Verifying : systemd-pam-246.6-3.fc34.aarch64 344/382 Verifying : systemd-rpm-macros-246.6-3.fc34.noarch 345/382 Verifying : systemtap-sdt-devel-4.4-0.20200922git05179173e71 346/382 Verifying : urw-base35-bookman-fonts-20200910-1.fc34.noarch 347/382 Verifying : urw-base35-c059-fonts-20200910-1.fc34.noarch 348/382 Verifying : urw-base35-d050000l-fonts-20200910-1.fc34.noarch 349/382 Verifying : urw-base35-fonts-20200910-1.fc34.noarch 350/382 Verifying : urw-base35-fonts-common-20200910-1.fc34.noarch 351/382 Verifying : urw-base35-gothic-fonts-20200910-1.fc34.noarch 352/382 Verifying : urw-base35-nimbus-mono-ps-fonts-20200910-1.fc34. 353/382 Verifying : urw-base35-nimbus-roman-fonts-20200910-1.fc34.no 354/382 Verifying : urw-base35-nimbus-sans-fonts-20200910-1.fc34.noa 355/382 Verifying : urw-base35-p052-fonts-20200910-1.fc34.noarch 356/382 Verifying : urw-base35-standard-symbols-ps-fonts-20200910-1. 357/382 Verifying : urw-base35-z003-fonts-20200910-1.fc34.noarch 358/382 Verifying : vim-filesystem-2:8.2.1961-1.fc34.noarch 359/382 Verifying : wayland-devel-1.18.0-2.fc33.aarch64 360/382 Verifying : wayland-protocols-devel-1.20-2.fc33.noarch 361/382 Verifying : webkit2gtk3-2.30.2-1.fc34.aarch64 362/382 Verifying : webkit2gtk3-jsc-2.30.2-1.fc34.aarch64 363/382 Verifying : woff2-1.0.2-9.fc33.aarch64 364/382 Verifying : wpebackend-fdo-1.8.0-1.fc34.aarch64 365/382 Verifying : wxBase3-3.0.5.1-2.fc33.aarch64 366/382 Verifying : wxBase3-devel-3.0.5.1-2.fc33.aarch64 367/382 Verifying : wxGTK3-3.0.5.1-2.fc33.aarch64 368/382 Verifying : wxGTK3-devel-3.0.5.1-2.fc33.aarch64 369/382 Verifying : wxGTK3-gl-3.0.5.1-2.fc33.aarch64 370/382 Verifying : wxGTK3-i18n-3.0.5.1-2.fc33.noarch 371/382 Verifying : wxGTK3-media-3.0.5.1-2.fc33.aarch64 372/382 Verifying : wxGTK3-webview-3.0.5.1-2.fc33.aarch64 373/382 Verifying : xdg-dbus-proxy-0.1.2-3.fc33.aarch64 374/382 Verifying : xkeyboard-config-2.31-2.fc34.noarch 375/382 Verifying : xml-common-0.6.3-55.fc33.noarch 376/382 Verifying : xorg-x11-font-utils-1:7.5-46.fc34.aarch64 377/382 Verifying : xorg-x11-fonts-ISO8859-1-100dpi-7.5-26.fc34.noar 378/382 Verifying : xorg-x11-proto-devel-2019.1-5.fc34.noarch 379/382 Verifying : xorg-x11-server-utils-7.7-37.fc34.aarch64 380/382 Verifying : xz-devel-5.2.5-3.fc33.aarch64 381/382 Verifying : zlib-devel-1.2.11-22.fc33.aarch64 382/382 Installed: ImageMagick-1:6.9.11.27-1.fc33.aarch64 ImageMagick-libs-1:6.9.11.27-1.fc33.aarch64 LibRaw-0.20.2-1.fc34.aarch64 OpenEXR-libs-2.3.0-6.fc33.aarch64 SDL2-2.0.12-4.fc33.aarch64 acl-2.2.53-9.fc34.aarch64 adobe-mappings-cmap-20171205-9.fc33.noarch adobe-mappings-cmap-deprecated-20171205-9.fc33.noarch adobe-mappings-pdf-20180407-7.fc33.noarch adwaita-cursor-theme-3.38.0-1.fc34.noarch adwaita-icon-theme-3.38.0-1.fc34.noarch alsa-lib-1.2.4-4.fc34.aarch64 annobin-9.38-1.fc34.aarch64 at-spi2-atk-2.38.0-1.fc34.aarch64 at-spi2-atk-devel-2.38.0-1.fc34.aarch64 at-spi2-core-2.38.0-2.fc34.aarch64 at-spi2-core-devel-2.38.0-2.fc34.aarch64 atk-2.36.0-2.fc33.aarch64 atk-devel-2.36.0-2.fc33.aarch64 avahi-libs-0.8-6.fc34.aarch64 brotli-1.0.9-3.fc34.aarch64 brotli-devel-1.0.9-3.fc34.aarch64 bubblewrap-0.4.1-2.fc33.aarch64 bzip2-devel-1.0.8-4.fc33.aarch64 cairo-1.16.0-9.fc33.aarch64 cairo-devel-1.16.0-9.fc33.aarch64 cairo-gobject-1.16.0-9.fc33.aarch64 cairo-gobject-devel-1.16.0-9.fc33.aarch64 cdparanoia-libs-10.2-35.fc34.aarch64 cmake-3.18.3-1.fc34.aarch64 cmake-data-3.18.3-1.fc34.noarch cmake-filesystem-3.18.3-1.fc34.aarch64 cmake-rpm-macros-3.18.3-1.fc34.noarch colord-libs-1.4.5-1.fc34.aarch64 cpp-10.2.1-7.fc34.aarch64 cryptsetup-libs-2.3.4-1.fc34.aarch64 cups-libs-1:2.3.3-17.fc34.aarch64 dbus-1:1.12.20-2.fc33.aarch64 dbus-broker-24-1.fc34.aarch64 dbus-common-1:1.12.20-2.fc33.noarch dbus-devel-1:1.12.20-2.fc33.aarch64 dbus-libs-1:1.12.20-2.fc33.aarch64 dejavu-sans-fonts-2.37-15.fc34.noarch desktop-file-utils-0.26-2.fc33.aarch64 device-mapper-1.02.173-1.fc33.aarch64 device-mapper-libs-1.02.173-1.fc33.aarch64 dos2unix-7.4.2-1.fc34.aarch64 eigen3-devel-3.3.8-2.fc34.noarch emacs-filesystem-1:27.1-2.fc34.noarch enchant2-2.2.13-1.fc34.aarch64 fftw-libs-double-3.3.8-9.fc34.aarch64 fontconfig-2.13.92-12.fc33.aarch64 fontconfig-devel-2.13.92-12.fc33.aarch64 fonts-filesystem-1:2.0.5-4.fc33.noarch freetype-2.10.4-1.fc34.aarch64 freetype-devel-2.10.4-1.fc34.aarch64 fribidi-1.0.10-3.fc33.aarch64 fribidi-devel-1.0.10-3.fc33.aarch64 gcc-10.2.1-7.fc34.aarch64 gcc-c++-10.2.1-7.fc34.aarch64 gd-2.3.0-3.fc33.aarch64 gdbm-libs-1:1.18.1-5.fc33.aarch64 gdk-pixbuf2-2.40.0-3.fc33.aarch64 gdk-pixbuf2-devel-2.40.0-3.fc33.aarch64 gdk-pixbuf2-modules-2.40.0-3.fc33.aarch64 gettext-0.21-3.fc34.aarch64 gettext-libs-0.21-3.fc34.aarch64 gl-manpages-1.1-21.20190306.fc33.noarch glib-networking-2.66.0-1.fc34.aarch64 glib2-2.67.0-2.fc34.aarch64 glib2-devel-2.67.0-2.fc34.aarch64 glibc-devel-2.32.9000-14.fc34.aarch64 gnutls-3.6.15-2.fc34.aarch64 google-droid-sans-fonts-20200215-8.fc34.noarch graphene-1.10.2-5.fc34.aarch64 graphite2-1.3.14-6.fc34.aarch64 graphite2-devel-1.3.14-6.fc34.aarch64 graphviz-2.44.0-14.fc34.aarch64 groff-base-1.22.4-4.fc34.aarch64 gsettings-desktop-schemas-3.38.0-1.fc34.aarch64 gstreamer1-1.18.1-1.fc34.aarch64 gstreamer1-plugins-base-1.18.1-1.fc34.aarch64 gtk-update-icon-cache-3.24.23-1.fc34.aarch64 gtk2-2.24.32-8.fc33.aarch64 gtk3-3.24.23-1.fc34.aarch64 gtk3-devel-3.24.23-1.fc34.aarch64 gts-0.7.6-38.20121130.fc33.aarch64 harfbuzz-2.7.2-1.fc34.aarch64 harfbuzz-devel-2.7.2-1.fc34.aarch64 harfbuzz-icu-2.7.2-1.fc34.aarch64 hicolor-icon-theme-0.17-9.fc33.noarch hunspell-1.7.0-7.fc33.aarch64 hunspell-en-US-0.20140811.1-17.fc33.noarch hyphen-2.8.8-14.fc33.aarch64 ilmbase-2.3.0-5.fc33.aarch64 inchi-devel-1.0.5-10.fc33.aarch64 inchi-libs-1.0.5-10.fc33.aarch64 iptables-libs-1.8.6-1.fc34.aarch64 isl-0.16.1-12.fc33.aarch64 iso-codes-4.5.0-2.fc33.noarch jasper-libs-2.0.22-1.fc34.aarch64 jbig2dec-libs-0.19-2.fc34.aarch64 jbigkit-libs-2.1-20.fc34.aarch64 json-c-0.14-7.fc33.aarch64 json-glib-1.6.0-1.fc34.aarch64 jsoncpp-1.9.4-2.fc34.aarch64 kernel-headers-5.10.0-0.rc2.git0.1.fc34.aarch64 kmod-libs-27-3.fc33.aarch64 langpacks-core-font-en-3.0-5.fc34.noarch lasi-1.1.3-4.fc33.aarch64 lcms2-2.11-2.fc33.aarch64 libICE-1.0.10-4.fc33.aarch64 libSM-1.2.3-6.fc33.aarch64 libX11-1.6.12-3.fc34.aarch64 libX11-common-1.6.12-3.fc34.noarch libX11-devel-1.6.12-3.fc34.aarch64 libX11-xcb-1.6.12-3.fc34.aarch64 libXau-1.0.9-5.fc34.aarch64 libXau-devel-1.0.9-5.fc34.aarch64 libXaw-1.0.13-16.fc34.aarch64 libXcomposite-0.4.5-4.fc34.aarch64 libXcomposite-devel-0.4.5-4.fc34.aarch64 libXcursor-1.2.0-4.fc34.aarch64 libXcursor-devel-1.2.0-4.fc34.aarch64 libXdamage-1.1.5-4.fc34.aarch64 libXdamage-devel-1.1.5-4.fc34.aarch64 libXext-1.3.4-5.fc34.aarch64 libXext-devel-1.3.4-5.fc34.aarch64 libXfixes-5.0.3-13.fc34.aarch64 libXfixes-devel-5.0.3-13.fc34.aarch64 libXft-2.3.3-5.fc34.aarch64 libXft-devel-2.3.3-5.fc34.aarch64 libXi-1.7.10-5.fc34.aarch64 libXi-devel-1.7.10-5.fc34.aarch64 libXinerama-1.1.4-7.fc34.aarch64 libXinerama-devel-1.1.4-7.fc34.aarch64 libXmu-1.1.3-5.fc34.aarch64 libXpm-3.5.13-3.fc33.aarch64 libXrandr-1.5.2-5.fc34.aarch64 libXrandr-devel-1.5.2-5.fc34.aarch64 libXrender-0.9.10-13.fc34.aarch64 libXrender-devel-0.9.10-13.fc34.aarch64 libXt-1.2.0-3.fc34.aarch64 libXtst-1.2.3-12.fc33.aarch64 libXtst-devel-1.2.3-12.fc33.aarch64 libXv-1.0.11-13.fc34.aarch64 libXxf86vm-1.1.4-15.fc34.aarch64 libargon2-20171227-5.fc33.aarch64 libasan-10.2.1-7.fc34.aarch64 libatomic-10.2.1-7.fc34.aarch64 libblkid-devel-2.36-3.fc34.aarch64 libcbor-0.7.0-2.fc34.aarch64 libdatrie-0.2.9-13.fc34.aarch64 libdatrie-devel-0.2.9-13.fc34.aarch64 libdrm-2.4.103-1.fc34.aarch64 libepoxy-1.5.4-3.fc33.aarch64 libepoxy-devel-1.5.4-3.fc33.aarch64 libevent-2.1.12-2.fc34.aarch64 libffi-devel-3.1-26.fc33.aarch64 libfido2-1.5.0-2.fc34.aarch64 libfontenc-1.1.3-13.fc33.aarch64 libglvnd-1:1.3.2-2.fc33.aarch64 libglvnd-core-devel-1:1.3.2-2.fc33.aarch64 libglvnd-devel-1:1.3.2-2.fc33.aarch64 libglvnd-egl-1:1.3.2-2.fc33.aarch64 libglvnd-gles-1:1.3.2-2.fc33.aarch64 libglvnd-glx-1:1.3.2-2.fc33.aarch64 libglvnd-opengl-1:1.3.2-2.fc33.aarch64 libgs-9.53.3-2.fc34.aarch64 libgusb-0.3.5-1.fc33.aarch64 libibverbs-core-32.0-1.fc34.aarch64 libicu-67.1-4.fc33.aarch64 libicu-devel-67.1-4.fc33.aarch64 libijs-0.35-12.fc33.aarch64 libimagequant-2.13.0-1.fc34.aarch64 libjpeg-turbo-2.0.5-5.fc33.aarch64 liblqr-1-0.4.2-15.fc33.aarch64 libmcpp-2.7.2-26.fc33.aarch64 libmnl-1.0.4-12.fc33.aarch64 libmodman-2.0.1-23.fc33.aarch64 libmount-devel-2.36-3.fc34.aarch64 libmpc-1.1.0-9.fc33.aarch64 libmspack-0.10.1-0.4.alpha.fc33.aarch64 libnetfilter_conntrack-1.0.7-5.fc33.aarch64 libnfnetlink-1.0.1-18.fc33.aarch64 libnl3-3.5.0-5.fc33.aarch64 libnotify-0.7.9-3.fc33.aarch64 libogg-2:1.3.4-3.fc33.aarch64 libpaper-1.1.28-1.fc34.aarch64 libpcap-14:1.9.1-6.fc34.aarch64 libpng-2:1.6.37-6.fc34.aarch64 libpng-devel-2:1.6.37-6.fc34.aarch64 libproxy-0.4.15-27.fc34.aarch64 libraqm-0.7.0-6.fc33.aarch64 librsvg2-2.50.1-1.fc34.aarch64 libseccomp-2.5.0-3.fc33.aarch64 libsecret-0.20.3-2.fc33.aarch64 libselinux-devel-3.1-4.fc34.aarch64 libsepol-devel-3.1-4.fc34.aarch64 libsoup-2.72.0-3.fc34.aarch64 libstdc++-devel-10.2.1-7.fc34.aarch64 libtextstyle-0.21-3.fc34.aarch64 libthai-0.1.28-5.fc33.aarch64 libthai-devel-0.1.28-5.fc33.aarch64 libtheora-1:1.1.1-28.fc33.aarch64 libtiff-4.1.0-5.fc34.aarch64 libubsan-10.2.1-7.fc34.aarch64 libunwind-1.4.0-4.fc34.aarch64 libusbx-1.0.23-2.fc33.aarch64 libuv-1:1.40.0-1.fc34.aarch64 libvisual-1:0.4.0-29.fc33.aarch64 libvorbis-1:1.3.7-2.fc33.aarch64 libwayland-client-1.18.0-2.fc33.aarch64 libwayland-cursor-1.18.0-2.fc33.aarch64 libwayland-egl-1.18.0-2.fc33.aarch64 libwayland-server-1.18.0-2.fc33.aarch64 libwebp-1.1.0-5.fc33.aarch64 libwmf-lite-0.2.12-4.fc33.aarch64 libwpe-1.8.0-1.fc34.aarch64 libxcb-1.13.1-6.fc34.aarch64 libxcb-devel-1.13.1-6.fc34.aarch64 libxcrypt-devel-4.4.17-1.fc34.aarch64 libxkbcommon-1.0.1-1.fc34.aarch64 libxkbcommon-devel-1.0.1-1.fc34.aarch64 libxml2-devel-2.9.10-7.fc34.aarch64 libxshmfence-1.3-7.fc33.aarch64 libxslt-1.1.34-4.fc34.aarch64 libyaml-0.2.5-3.fc33.aarch64 mcpp-2.7.2-26.fc33.aarch64 mesa-libEGL-20.2.2-1.fc34.aarch64 mesa-libGL-20.2.2-1.fc34.aarch64 mesa-libGLU-9.0.1-3.fc33.aarch64 mesa-libGLU-devel-9.0.1-3.fc33.aarch64 mesa-libgbm-20.2.2-1.fc34.aarch64 mesa-libglapi-20.2.2-1.fc34.aarch64 ncurses-6.2-3.20200222.fc33.aarch64 netpbm-10.92.00-1.fc34.aarch64 nettle-3.6-3.fc33.aarch64 openjpeg2-2.3.1-7.fc33.aarch64 opus-1.3.1-7.fc34.aarch64 orc-0.4.31-3.fc33.aarch64 pango-1.47.0-1.fc34.aarch64 pango-devel-1.47.0-1.fc34.aarch64 pcre-cpp-8.44-2.fc34.aarch64 pcre-devel-8.44-2.fc34.aarch64 pcre-utf16-8.44-2.fc34.aarch64 pcre-utf32-8.44-2.fc34.aarch64 pcre2-devel-10.35-8.fc34.aarch64 pcre2-utf16-10.35-8.fc34.aarch64 pcre2-utf32-10.35-8.fc34.aarch64 perl-AutoSplit-5.74-465.fc34.noarch perl-B-1.80-465.fc34.aarch64 perl-Benchmark-1.23-465.fc34.noarch perl-Carp-1.50-457.fc33.noarch perl-Class-Struct-0.66-465.fc34.noarch perl-Data-Dumper-2.174-459.fc34.aarch64 perl-Devel-PPPort-3.62-1.fc34.aarch64 perl-DynaLoader-1.47-465.fc34.aarch64 perl-Encode-4:3.07-457.fc33.aarch64 perl-Errno-1.30-465.fc34.aarch64 perl-Exporter-5.74-458.fc33.noarch perl-ExtUtils-Command-2:7.52-1.fc34.noarch perl-ExtUtils-Constant-0.25-465.fc34.noarch perl-ExtUtils-Install-2.18-1.fc34.noarch perl-ExtUtils-MakeMaker-2:7.52-1.fc34.noarch perl-ExtUtils-Manifest-1:1.72-457.fc33.noarch perl-ExtUtils-ParseXS-1:3.40-457.fc33.noarch perl-Fcntl-1.13-465.fc34.aarch64 perl-Fedora-VSP-0.001-20.fc33.noarch perl-File-Basename-2.85-465.fc34.noarch perl-File-Compare-1.100.600-465.fc34.noarch perl-File-Copy-2.34-465.fc34.noarch perl-File-Find-1.37-465.fc34.noarch perl-File-Path-2.18-1.fc34.noarch perl-File-Temp-1:0.231.100-1.fc34.noarch perl-File-stat-1.09-465.fc34.noarch perl-Getopt-Long-1:2.52-1.fc34.noarch perl-Getopt-Std-1.12-465.fc34.noarch perl-HTTP-Tiny-0.076-457.fc33.noarch perl-IO-1.43-465.fc34.aarch64 perl-IPC-Open3-1.21-465.fc34.noarch perl-MIME-Base64-3.16-1.fc34.aarch64 perl-POSIX-1.94-465.fc34.aarch64 perl-PathTools-3.78-458.fc34.aarch64 perl-Pod-Escapes-1:1.07-457.fc33.noarch perl-Pod-Perldoc-3.28.01-458.fc33.noarch perl-Pod-Simple-1:3.41-459.fc34.noarch perl-Pod-Usage-4:2.01-1.fc34.noarch perl-Scalar-List-Utils-4:1.55-457.fc33.aarch64 perl-SelectSaver-1.02-465.fc34.noarch perl-Socket-4:2.030-2.fc33.aarch64 perl-Storable-1:3.21-457.fc33.aarch64 perl-Symbol-1.08-465.fc34.noarch perl-Term-ANSIColor-5.01-458.fc33.noarch perl-Term-Cap-1.17-457.fc33.noarch perl-Test-Harness-1:3.42-458.fc33.noarch perl-Text-ParseWords-3.30-457.fc33.noarch perl-Text-Tabs+Wrap-2013.0523-457.fc33.noarch perl-Time-Local-2:1.300-4.fc33.noarch perl-base-2.27-465.fc34.noarch perl-constant-1.33-458.fc33.noarch perl-devel-4:5.32.0-465.fc34.aarch64 perl-generators-1.11-9.fc33.noarch perl-if-0.60.800-465.fc34.noarch perl-interpreter-4:5.32.0-465.fc34.aarch64 perl-lib-0.65-465.fc34.aarch64 perl-libs-4:5.32.0-465.fc34.aarch64 perl-locale-1.09-465.fc34.noarch perl-macros-4:5.32.0-465.fc34.noarch perl-mro-1.23-465.fc34.aarch64 perl-overload-1.31-465.fc34.noarch perl-overloading-0.02-465.fc34.noarch perl-parent-1:0.238-457.fc33.noarch perl-podlators-1:4.14-457.fc33.noarch perl-subs-1.03-465.fc34.noarch perl-vars-1.05-465.fc34.noarch perl-version-7:0.99.28-1.fc34.aarch64 pixman-0.40.0-2.fc33.aarch64 pixman-devel-0.40.0-2.fc33.aarch64 python-pip-wheel-20.2.4-1.fc34.noarch python-rpm-macros-3.9-10.fc34.noarch python-setuptools-wheel-50.3.2-1.fc34.noarch python3-3.9.0-1.fc34.aarch64 python3-devel-3.9.0-1.fc34.aarch64 python3-libs-3.9.0-1.fc34.aarch64 python3-pyparsing-2.4.7-4.fc33.noarch python3-rpm-generators-11-12.fc34.noarch python3-rpm-macros-3.9-10.fc34.noarch python3-setuptools-50.3.2-1.fc34.noarch qrencode-libs-4.0.2-6.fc33.aarch64 rapidjson-devel-1.1.0-15.fc34.aarch64 rest-0.8.1-8.fc33.aarch64 rhash-1.4.0-2.fc33.aarch64 ruby-2.7.2-135.fc34.aarch64 ruby-devel-2.7.2-135.fc34.aarch64 ruby-libs-2.7.2-135.fc34.aarch64 rubygem-openssl-2.1.2-135.fc34.aarch64 rubygem-psych-3.1.0-135.fc34.aarch64 rubygems-3.1.4-201.fc33.noarch rubypick-1.1.1-13.fc33.noarch shared-mime-info-2.0-4.fc34.aarch64 swig-4.0.2-3.fc34.aarch64 systemd-246.6-3.fc34.aarch64 systemd-pam-246.6-3.fc34.aarch64 systemd-rpm-macros-246.6-3.fc34.noarch systemtap-sdt-devel-4.4-0.20200922git05179173e71c.fc34.aarch64 urw-base35-bookman-fonts-20200910-1.fc34.noarch urw-base35-c059-fonts-20200910-1.fc34.noarch urw-base35-d050000l-fonts-20200910-1.fc34.noarch urw-base35-fonts-20200910-1.fc34.noarch urw-base35-fonts-common-20200910-1.fc34.noarch urw-base35-gothic-fonts-20200910-1.fc34.noarch urw-base35-nimbus-mono-ps-fonts-20200910-1.fc34.noarch urw-base35-nimbus-roman-fonts-20200910-1.fc34.noarch urw-base35-nimbus-sans-fonts-20200910-1.fc34.noarch urw-base35-p052-fonts-20200910-1.fc34.noarch urw-base35-standard-symbols-ps-fonts-20200910-1.fc34.noarch urw-base35-z003-fonts-20200910-1.fc34.noarch vim-filesystem-2:8.2.1961-1.fc34.noarch wayland-devel-1.18.0-2.fc33.aarch64 wayland-protocols-devel-1.20-2.fc33.noarch webkit2gtk3-2.30.2-1.fc34.aarch64 webkit2gtk3-jsc-2.30.2-1.fc34.aarch64 woff2-1.0.2-9.fc33.aarch64 wpebackend-fdo-1.8.0-1.fc34.aarch64 wxBase3-3.0.5.1-2.fc33.aarch64 wxBase3-devel-3.0.5.1-2.fc33.aarch64 wxGTK3-3.0.5.1-2.fc33.aarch64 wxGTK3-devel-3.0.5.1-2.fc33.aarch64 wxGTK3-gl-3.0.5.1-2.fc33.aarch64 wxGTK3-i18n-3.0.5.1-2.fc33.noarch wxGTK3-media-3.0.5.1-2.fc33.aarch64 wxGTK3-webview-3.0.5.1-2.fc33.aarch64 xdg-dbus-proxy-0.1.2-3.fc33.aarch64 xkeyboard-config-2.31-2.fc34.noarch xml-common-0.6.3-55.fc33.noarch xorg-x11-font-utils-1:7.5-46.fc34.aarch64 xorg-x11-fonts-ISO8859-1-100dpi-7.5-26.fc34.noarch xorg-x11-proto-devel-2019.1-5.fc34.noarch xorg-x11-server-utils-7.7-37.fc34.aarch64 xz-devel-5.2.5-3.fc33.aarch64 zlib-devel-1.2.11-22.fc33.aarch64 Complete! Finish: build setup for openbabel-3.1.1-4.20201103git9c001b5.fc34.src.rpm Start: rpmbuild openbabel-3.1.1-4.20201103git9c001b5.fc34.src.rpm warning: Macro expanded in comment on line 18: %(echo %{version} | tr '.' '-').tar.gz Building target platforms: aarch64 Building for target aarch64 setting SOURCE_DATE_EPOCH=1604793600 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.NrJawv + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf openbabel-9c001b5aeb8b985f26d111d811673150607662fa + /usr/bin/gzip -dc /builddir/build/SOURCES/openbabel-9c001b5aeb8b985f26d111d811673150607662fa.tar.gz + /usr/bin/tar -xvvof - drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/ drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/.github/ -rw-rw-r-- root/root 2800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/.github/CODE_OF_CONDUCT.md -rw-rw-r-- root/root 27 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/.github/FUNDING.yml -rw-rw-r-- root/root 1313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/.github/ISSUE_TEMPLATE.md -rw-rw-r-- root/root 289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/.github/release-drafter.yml drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/.github/workflows/ -rw-rw-r-- root/root 1670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/.github/workflows/build_bindings.yml -rw-rw-r-- root/root 4304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/.github/workflows/build_cmake.yml -rw-rw-r-- root/root 428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/.github/workflows/misspell-fixer.yml -rw-rw-r-- root/root 268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/.gitignore -rw-rw-r-- root/root 97 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/.misspell-fixer.ignore -rw-rw-r-- root/root 609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/.travis.yml -rw-rw-r-- root/root 465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/AUTHORS -rw-rw-r-- root/root 28435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/CMakeLists.txt -rw-rw-r-- root/root 15146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/COPYING -rw-rw-r-- root/root 240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/CTestConfig.cmake -rw-rw-r-- root/root 2215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/INSTALL -rw-rw-r-- root/root 703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/OpenBabel3Config.cmake.in -rw-rw-r-- root/root 572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/OpenBabel3ConfigVersion.cmake.in -rw-rw-r-- root/root 1703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/README.md -rw-rw-r-- root/root 1940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/THANKS -rw-rw-r-- root/root 1211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/authors.txt drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/cmake/ -rw-rw-r-- root/root 924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/cmake/cmake_uninstall.cmake.in drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/cmake/modules/ -rw-rw-r-- root/root 1438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/cmake/modules/FindCairo.cmake -rw-rw-r-- root/root 2866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/cmake/modules/FindEigen2.cmake -rw-rw-r-- root/root 2995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/cmake/modules/FindEigen3.cmake -rw-rw-r-- root/root 823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/cmake/modules/FindInchi.cmake -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/cmake/modules/FindRapidJSON.cmake -rw-rw-r-- root/root 1462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/cmake/modules/Findcoordgen.cmake -rw-rw-r-- root/root 974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/cmake/modules/Findmaeparser.cmake -rw-rw-r-- root/root 3034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/cmake/modules/OptimizeNative.cmake -rw-rw-r-- root/root 2984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/cmake/modules/UsePythonTest.cmake drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/ -rw-rw-r-- root/root 1147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/CMakeLists.txt -rw-rw-r-- root/root 8890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/MACCS.txt -rw-rw-r-- root/root 39230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/SMARTS_InteLigand.txt -rw-rw-r-- root/root 12573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/UFF.prm -rw-rw-r-- root/root 690432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/atomization-energies.txt -rw-rw-r-- root/root 23731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/atomtyp.h -rw-rw-r-- root/root 10155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/atomtyp.txt -rw-rw-r-- root/root 31822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/babel_povray3.inc -rwxrwxr-x root/root 3900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/bin2hex.pl -rw-rw-r-- root/root 12284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/bondtyp.h -rw-rw-r-- root/root 5881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/bondtyp.txt -rw-rw-r-- root/root 47608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/chemdrawcdx.h -rw-rw-r-- root/root 444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/eem.txt -rw-rw-r-- root/root 460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/eem2015ba.txt -rw-rw-r-- root/root 460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/eem2015bm.txt -rw-rw-r-- root/root 460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/eem2015bn.txt -rw-rw-r-- root/root 460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/eem2015ha.txt -rw-rw-r-- root/root 460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/eem2015hm.txt -rw-rw-r-- root/root 460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/eem2015hn.txt -rw-rw-r-- root/root 4874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/eqeqIonizations.txt -rw-rw-r-- root/root 338592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/gaff.dat -rw-rw-r-- root/root 24540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/gaff.prm -rwxrwxr-x root/root 474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/genheaders.sh -rw-rw-r-- root/root 16754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/ghemical.prm -rw-rw-r-- root/root 4357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/logp.txt -rw-rw-r-- root/root 127434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mm2.prm -rw-rw-r-- root/root 565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmff94.ff -rw-rw-r-- root/root 569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmff94s.ff -rw-rw-r-- root/root 100427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmffang.par -rw-rw-r-- root/root 2314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmffbndk.par -rw-rw-r-- root/root 18856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmffbond.par -rw-rw-r-- root/root 14158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmffchg.par -rw-rw-r-- root/root 11165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmffdef.par -rw-rw-r-- root/root 1308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmffdfsb.par -rw-rw-r-- root/root 5047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmffoop.par -rw-rw-r-- root/root 4322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmffpbci.par -rw-rw-r-- root/root 4567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmffprop.par -rw-rw-r-- root/root 5074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmffs_oop.par -rw-rw-r-- root/root 55852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmffs_tor.par -rw-rw-r-- root/root 12192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmffstbn.par -rw-rw-r-- root/root 55768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmfftor.par -rw-rw-r-- root/root 5942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mmffvdw.par -rw-rw-r-- root/root 3386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mpC.txt -rw-rw-r-- root/root 4127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/mr.txt -rw-rw-r-- root/root 3756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/patterns.txt -rw-rw-r-- root/root 9367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/patty.rules -rw-rw-r-- root/root 7130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/phmodel.txt -rw-rw-r-- root/root 18162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/phmodeldata.h -rw-rw-r-- root/root 2400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/plugindefines.txt -rw-rw-r-- root/root 2418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/psa.txt -rw-rw-r-- root/root 3096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/qeq.txt -rw-rw-r-- root/root 69787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/resdata.h -rw-rw-r-- root/root 14696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/resdata.txt -rw-rw-r-- root/root 157957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/rigid-fragments-index.txt -rw-rw-r-- root/root 1936876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/rigid-fragments.txt -rw-rw-r-- root/root 758529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/ring-fragments.txt -rw-rw-r-- root/root 3003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/ringtyp.txt -rw-rw-r-- root/root 105886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/space-groups.txt -rw-rw-r-- root/root 775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/space-groups.xsl -rw-rw-r-- root/root 53685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/splash.png -rw-rw-r-- root/root 6704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/superatom.txt -rw-rw-r-- root/root 1916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/svgformat.script -rw-rw-r-- root/root 1849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/templates.sdf -rw-rw-r-- root/root 37468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/torlib.h -rw-rw-r-- root/root 9963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/torlib.txt -rw-rw-r-- root/root 29869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/torsion.txt -rw-rw-r-- root/root 50482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/types.h -rw-rw-r-- root/root 10975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data/types.txt drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/ -rw-rw-r-- root/root 1247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/CMakeLists.txt -rw-rw-r-- root/root 77826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/Doxyfile.in -rw-rw-r-- root/root 10777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/FAQ.html -rw-rw-r-- root/root 9316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/OBTwoMigration.html -rw-rw-r-- root/root 7099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/OpenBabelGUI.html -rw-rw-r-- root/root 267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/README.dioxin.pov -rw-rw-r-- root/root 5444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/README.povray -rw-rw-r-- root/root 826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/api-footer.html -rw-rw-r-- root/root 521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/api-header.html -rw-rw-r-- root/root 20210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/dioxin.inc -rw-rw-r-- root/root 2365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/dioxin.mol2 -rw-rw-r-- root/root 165517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/dioxin.png -rw-rw-r-- root/root 437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/dioxin.pov drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/examples/ -rw-rw-r-- root/root 333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/examples/CMakeLists.txt -rw-rw-r-- root/root 2251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/examples/obconformersearch_default.cpp -rw-rw-r-- root/root 445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/examples/obconversion_readstring.cpp -rw-rw-r-- root/root 363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/examples/obconversion_readstring.py -rw-rw-r-- root/root 1292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/examples/obfingerprint_getfingerprint.cpp -rw-rw-r-- root/root 1589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/examples/obforcefield_energy.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/examples/static_executable/ -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/examples/static_executable/CMakeLists.txt -rw-rw-r-- root/root 759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/examples/static_executable/myexe.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/images/ -rw-rw-r-- root/root 58528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/images/SPshapes.png -rw-rw-r-- root/root 7473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/images/cistrans.png -rw-rw-r-- root/root 32519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/images/energyconformerscore.png -rw-rw-r-- root/root 1296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/images/getcisref.png -rw-rw-r-- root/root 1336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/images/gettransref.png -rw-rw-r-- root/root 45384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/images/rmsdconformerscore.png -rw-rw-r-- root/root 37222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/images/spectrophore_cage.png -rw-rw-r-- root/root 8751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/images/squareplanar.png -rw-rw-r-- root/root 14583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/images/tetrahedral.png -rw-rw-r-- root/root 49089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/images/tetranonplanar.png -rw-rw-r-- root/root 25167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/images/tetraplanar.png -rw-rw-r-- root/root 231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/modules.h -rw-rw-r-- root/root 9454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obabel.1 -rw-rw-r-- root/root 12671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obabel.html -rw-rw-r-- root/root 1574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obchiral.1 -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obchiral.html -rw-rw-r-- root/root 1850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obconformer.1 -rw-rw-r-- root/root 3124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obconformer.html -rw-rw-r-- root/root 1388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obdistgen.1 -rw-rw-r-- root/root 2131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obenergy.1 -rw-rw-r-- root/root 3576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obenergy.html -rw-rw-r-- root/root 2312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obfit.1 -rw-rw-r-- root/root 3620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obfit.html -rw-rw-r-- root/root 2099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obgen.1 -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obgen.html -rw-rw-r-- root/root 2902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obgrep.1 -rw-rw-r-- root/root 4572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obgrep.html -rw-rw-r-- root/root 731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obgui.1 -rw-rw-r-- root/root 1665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obgui.html -rw-rw-r-- root/root 2498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obminimize.1 -rw-rw-r-- root/root 4054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obminimize.html -rw-rw-r-- root/root 2250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obprobe.1 -rw-rw-r-- root/root 3649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obprobe.html -rw-rw-r-- root/root 2097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obprop.1 -rw-rw-r-- root/root 3471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obprop.html -rw-rw-r-- root/root 2350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obrms.1 -rw-rw-r-- root/root 1766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obrotamer.1 -rw-rw-r-- root/root 3012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obrotamer.html -rw-rw-r-- root/root 3173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obrotate.1 -rw-rw-r-- root/root 4662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obrotate.html -rw-rw-r-- root/root 3064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obspectrophore.1 -rw-rw-r-- root/root 4458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obspectrophore.html -rw-rw-r-- root/root 1376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obsym.1 -rw-rw-r-- root/root 1412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obtautomer.1 -rw-rw-r-- root/root 1688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/obthermo.1 -rw-rw-r-- root/root 1754107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/openbabel.tags -rw-rw-r-- root/root 1650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/roundtrip.1 -rw-rw-r-- root/root 53685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/doc/splash.png drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/ -rw-rw-r-- root/root 958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/CMakeLists.txt -rw-rw-r-- root/root 5765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/LBFGS.h drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/LBFGS/ -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/LBFGS/LineSearchBacktracking.h -rw-rw-r-- root/root 4239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/LBFGS/LineSearchBracketing.h -rw-rw-r-- root/root 6264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/LBFGS/LineSearchNocedalWright.h -rw-rw-r-- root/root 7743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/LBFGS/Param.h drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/OB-BGL/ -rw-rw-r-- root/root 5574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/OB-BGL/example.cpp -rw-rw-r-- root/root 11261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/OB-BGL/mol_graph.h -rw-rw-r-- root/root 4432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/OB-BGL/verbose_visitors.h -rw-rw-r-- root/root 297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/RDKitConv.h -rw-rw-r-- root/root 46675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/chemdrawcdx.h -rw-rw-r-- root/root 4771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/iconv.h drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ -rw-rw-r-- root/root 140687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/aux2atom.h -rw-rw-r-- root/root 13287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/extr_ct.h -rw-rw-r-- root/root 14670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichi.h -rw-rw-r-- root/root 22938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichi_bns.h -rw-rw-r-- root/root 3124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichi_io.h -rw-rw-r-- root/root 2962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichicano.h -rw-rw-r-- root/root 16514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichicant.h -rw-rw-r-- root/root 16139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichicomn.h -rw-rw-r-- root/root 2904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichicomp.h -rw-rw-r-- root/root 6345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichidrp.h -rw-rw-r-- root/root 5340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichierr.h -rw-rw-r-- root/root 10612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichimain.h -rw-rw-r-- root/root 13765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichimake.h -rw-rw-r-- root/root 5103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichinorm.h -rw-rw-r-- root/root 108599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichiparm.h -rw-rw-r-- root/root 2322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichiring.h -rw-rw-r-- root/root 51058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichirvrs.h -rw-rw-r-- root/root 1918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichisize.h -rw-rw-r-- root/root 2652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichister.h -rw-rw-r-- root/root 18666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichitaut.h -rw-rw-r-- root/root 3076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ichitime.h -rw-rw-r-- root/root 5079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/ikey_base26.h -rw-rw-r-- root/root 55310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/inchi_api.h -rw-rw-r-- root/root 5125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/inchi_dll_a.h -rw-rw-r-- root/root 1869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/inchi_dll_main.h -rw-rw-r-- root/root 7603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/inchicmp.h -rw-rw-r-- root/root 5626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/incomdef.h -rw-rw-r-- root/root 15736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/inpdef.h -rw-rw-r-- root/root 53373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/lreadmol.h -rw-rw-r-- root/root 46254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/mode.h -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/sha2.h -rw-rw-r-- root/root 19851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/strutil.h -rw-rw-r-- root/root 4531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi/util.h -rw-rw-r-- root/root 55177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/inchi_api.h drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/ -rw-rw-r-- root/root 3277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/DOCBparser.h -rw-rw-r-- root/root 9034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/HTMLparser.h -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/HTMLtree.h -rw-rw-r-- root/root 4412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/SAX.h -rw-rw-r-- root/root 4878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/SAX2.h -rw-rw-r-- root/root 2583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/c14n.h -rw-rw-r-- root/root 4958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/catalog.h -rw-rw-r-- root/root 5099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/chvalid.h -rw-rw-r-- root/root 5181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/debugXML.h -rw-rw-r-- root/root 1582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/dict.h -rw-rw-r-- root/root 7931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/encoding.h -rw-rw-r-- root/root 4352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/entities.h -rw-rw-r-- root/root 13458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/globals.h -rw-rw-r-- root/root 6567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/hash.h -rw-rw-r-- root/root 3422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/list.h -rw-rw-r-- root/root 3347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/nanoftp.h -rw-rw-r-- root/root 2018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/nanohttp.h -rw-rw-r-- root/root 37198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/parser.h -rw-rw-r-- root/root 16280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/parserInternals.h -rw-rw-r-- root/root 1887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/pattern.h -rw-rw-r-- root/root 5264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/relaxng.h -rw-rw-r-- root/root 22398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/schemasInternals.h -rw-rw-r-- root/root 1705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/threads.h -rw-rw-r-- root/root 32200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/tree.h -rw-rw-r-- root/root 2274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/uri.h -rw-rw-r-- root/root 13747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/valid.h -rw-rw-r-- root/root 2675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xinclude.h -rw-rw-r-- root/root 5051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xlink.h -rw-rw-r-- root/root 10253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlIO.h -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlautomata.h -rw-rw-r-- root/root 35166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlerror.h -rw-rw-r-- root/root 3292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlexports.h -rw-rw-r-- root/root 5858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlmemory.h -rw-rw-r-- root/root 1171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlmodule.h -rw-rw-r-- root/root 11833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlreader.h -rw-rw-r-- root/root 2545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlregexp.h -rw-rw-r-- root/root 1910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlsave.h -rw-rw-r-- root/root 4796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlschemas.h -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlschemastypes.h -rw-rw-r-- root/root 5467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlstring.h -rw-rw-r-- root/root 10002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlunicode.h -rw-rw-r-- root/root 5942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlversion.h -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlwin32version.h -rw-rw-r-- root/root 20326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xmlwriter.h -rw-rw-r-- root/root 15387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xpath.h -rw-rw-r-- root/root 19448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xpathInternals.h -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/libxml/xpointer.h drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/ -rw-rw-r-- root/root 4440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/alias.h -rw-rw-r-- root/root 20758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/atom.h -rw-rw-r-- root/root 13356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/base.h -rw-rw-r-- root/root 9029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/bitvec.h -rw-rw-r-- root/root 11923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/bond.h -rw-rw-r-- root/root 1795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/bondtyper.h -rw-rw-r-- root/root 8775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/builder.h -rw-rw-r-- root/root 2257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/canon.h -rw-rw-r-- root/root 11398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/chains.h -rw-rw-r-- root/root 4914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/chargemodel.h -rw-rw-r-- root/root 24872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/conformersearch.h -rw-rw-r-- root/root 10811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/data.h -rw-rw-r-- root/root 2949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/data_utilities.h drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/depict/ -rw-rw-r-- root/root 2440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/depict/asciipainter.h -rw-rw-r-- root/root 2233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/depict/cairopainter.h -rw-rw-r-- root/root 2098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/depict/commandpainter.h -rw-rw-r-- root/root 3301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/depict/depict.h -rw-rw-r-- root/root 6472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/depict/painter.h -rw-rw-r-- root/root 2868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/depict/svgpainter.h -rw-rw-r-- root/root 5076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/descriptor.h -rw-rw-r-- root/root 5918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/distgeom.h -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/dlhandler.h -rw-rw-r-- root/root 12291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/elements.h -rw-rw-r-- root/root 7765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/fingerprint.h -rw-rw-r-- root/root 70033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/forcefield.h -rw-rw-r-- root/root 6337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/format.h -rw-rw-r-- root/root 41296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/generic.h -rw-rw-r-- root/root 2424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/graphsym.h -rw-rw-r-- root/root 12292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/grid.h -rw-rw-r-- root/root 5088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/griddata.h -rw-rw-r-- root/root 2991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/groupcontrib.h -rw-rw-r-- root/root 9626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h -rw-rw-r-- root/root 2819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/internalcoord.h -rw-rw-r-- root/root 16139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/isomorphism.h -rw-rw-r-- root/root 1336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/json.h -rw-rw-r-- root/root 2021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/kekulize.h -rw-rw-r-- root/root 4815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/kinetics.h -rw-rw-r-- root/root 6553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/lineend.h -rw-rw-r-- root/root 1520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/locale.h drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/math/ -rw-rw-r-- root/root 7859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/math/align.h -rw-rw-r-- root/root 2142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/math/erf.h -rw-rw-r-- root/root 9153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/math/matrix3x3.h -rw-rw-r-- root/root 3314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/math/spacegroup.h -rw-rw-r-- root/root 2397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/math/transform3d.h -rw-rw-r-- root/root 11605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/math/vector3.h -rw-rw-r-- root/root 2482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/matrix.h -rw-rw-r-- root/root 5978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/mcdlutil.h -rw-rw-r-- root/root 38362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/mol.h -rw-rw-r-- root/root 2218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/molchrg.h -rw-rw-r-- root/root 19909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h -rw-rw-r-- root/root 9014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/oberror.h -rw-rw-r-- root/root 2593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obfunctions.h -rw-rw-r-- root/root 16216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obiter.h -rw-rw-r-- root/root 7380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h -rw-rw-r-- root/root 9721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obutil.h -rw-rw-r-- root/root 5561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/op.h -rw-rw-r-- root/root 2412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/optransform.h -rw-rw-r-- root/root 12086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/parsmart.h -rw-rw-r-- root/root 2325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/patty.h -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/phmodel.h -rw-rw-r-- root/root 21285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/plugin.h -rw-rw-r-- root/root 2997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/pointgroup.h -rw-rw-r-- root/root 9165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/query.h -rw-rw-r-- root/root 3460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/reaction.h -rw-rw-r-- root/root 8091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/reactionfacade.h -rw-rw-r-- root/root 14099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/residue.h -rw-rw-r-- root/root 6697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/ring.h -rw-rw-r-- root/root 5769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/rotamer.h -rw-rw-r-- root/root 26169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/rotor.h -rw-rw-r-- root/root 1017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/shared_ptr.h -rw-rw-r-- root/root 31087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/spectrophore.h drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/stereo/ -rw-rw-r-- root/root 8689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/stereo/bindings.h -rw-rw-r-- root/root 12931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/stereo/cistrans.h -rw-rw-r-- root/root 10613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/stereo/squareplanar.h -rw-rw-r-- root/root 48500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/stereo/stereo.h -rw-rw-r-- root/root 11262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/stereo/tetrahedral.h -rw-rw-r-- root/root 8115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/stereo/tetranonplanar.h -rw-rw-r-- root/root 4956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/stereo/tetraplanar.h -rw-rw-r-- root/root 4516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/tautomer.h -rw-rw-r-- root/root 3241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/text.h -rw-rw-r-- root/root 2455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/tokenst.h drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/tree/ -rw-rw-r-- root/root 82284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/tree/tree.hh -rw-rw-r-- root/root 2453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/tree/tree_util.hh -rw-rw-r-- root/root 3206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/typer.h -rw-rw-r-- root/root 8031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/xml.h -rw-rw-r-- root/root 9544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/zconf.h -rw-rw-r-- root/root 66188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/zlib.h -rw-rw-r-- root/root 308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/openbabel-3.pc.cmake drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ -rw-rw-r-- root/root 24083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/CMakeLists.txt drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/R/ -rw-rw-r-- root/root 2439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/R/README drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/R/examples/ drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/R/examples/openbabelR/ -rw-rw-r-- root/root 222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/R/examples/openbabelR/DESCRIPTION -rw-rw-r-- root/root 25 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/R/examples/openbabelR/NAMESPACE drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/R/examples/openbabelR/R/ -rw-rw-r-- root/root 112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/R/examples/openbabelR/R/init.R drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/R/examples/openbabelR/src/ -rw-rw-r-- root/root 125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/R/examples/openbabelR/src/Makevars -rw-rw-r-- root/root 4445500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/R/examples/openbabelR/src/openbabel-R.cpp -rw-rw-r-- root/root 1149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/R/examples/test.R drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/csharp/ -rwxrwxr-x root/root 1320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/csharp/OBDotNetAssemblyInfo.cs -rwxrwxr-x root/root 596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/csharp/obdotnet.snk drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/java/ -rw-rw-r-- root/root 475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/java/OBTest.java -rw-rw-r-- root/root 1662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/java/README -rw-rw-r-- root/root 15050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/openbabel-R.i -rw-rw-r-- root/root 33115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/openbabel-csharp.i -rw-rw-r-- root/root 13808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/openbabel-java.i -rw-rw-r-- root/root 10698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/openbabel-mono.i -rw-rw-r-- root/root 10573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/openbabel-perl.i -rw-rw-r-- root/root 10991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/openbabel-php.i -rw-rw-r-- root/root 18932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/openbabel-python.i -rw-rw-r-- root/root 9599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/openbabel-ruby.i drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/ -rw-rw-r-- root/root 17992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/COPYING -rw-rw-r-- root/root 658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/Changes -rw-rw-r-- root/root 866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/MANIFEST -rw-rw-r-- root/root 295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/META.yml -rw-rw-r-- root/root 1467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/Makefile.PL -rw-rw-r-- root/root 2244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/README drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/examples/ -rw-rw-r-- root/root 588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/examples/example.pl drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/inc/ drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/inc/Devel/ -rw-rw-r-- root/root 8314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/inc/Devel/CheckLib.pm drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/t/ -rw-rw-r-- root/root 1506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/t/atom.t -rw-rw-r-- root/root 1080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/t/bond.t -rw-rw-r-- root/root 1512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/t/conversion.t -rw-rw-r-- root/root 733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/t/data.t -rw-rw-r-- root/root 850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/t/format.t -rw-rw-r-- root/root 1013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/t/internalcoord.t -rw-rw-r-- root/root 1359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/t/mol.t -rw-rw-r-- root/root 830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/t/residue.t drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/php/ -rw-rw-r-- root/root 14903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/php/baphpel.php drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/php/example/ -rw-rw-r-- root/root 560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/php/example/example1.php drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/ -rw-rw-r-- root/root 3297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/Examples.html -rw-rw-r-- root/root 133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/MANIFEST.in -rw-rw-r-- root/root 2809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/README.rst drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/examples/ -rw-rw-r-- root/root 45308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/examples/dalke_test.py -rw-rw-r-- root/root 1195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/examples/energy.py -rw-rw-r-- root/root 689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/examples/examples.py -rw-rw-r-- root/root 486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/examples/findcoverage.bat -rw-rw-r-- root/root 269694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/examples/hashizume.cif -rw-rw-r-- root/root 4316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/examples/head.sdf -rw-rw-r-- root/root 1436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/examples/minSimple.py -rw-rw-r-- root/root 17385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/examples/testpybel.py -rw-rw-r-- root/root 1688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/examples/wgtRotorSrch.py drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/openbabel/ -rw-rw-r-- root/root 538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/openbabel/__init__.py.in -rw-rw-r-- root/root 34668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/openbabel/pybel.py -rw-rw-r-- root/root 34343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/pybelapi.html -rw-rw-r-- root/root 6283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/python/setup.py drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/ -rw-rw-r-- root/root 3826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/README drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/examples/ -rw-rw-r-- root/root 514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/examples/canonical_smiles.rb -rw-rw-r-- root/root 342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/examples/load_benzene.rb -rw-rw-r-- root/root 1478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/extconf.rb drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/scala/ -rw-rw-r-- root/root 552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/scala/OBTest.scala -rw-rw-r-- root/root 554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/scala/README -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/stereo.i drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ -rw-rw-r-- root/root 6643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/CMakeLists.txt drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/ -rw-rw-r-- root/root 384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/CMakeLists.txt -rw-rw-r-- root/root 44328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp -rw-rw-r-- root/root 6731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.h -rw-rw-r-- root/root 409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.rc -rw-rw-r-- root/root 6089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/babel.xpm -rw-rw-r-- root/root 1078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/babel2.ico -rw-rw-r-- root/root 14074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/optswx.cpp -rw-rw-r-- root/root 1437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/optswx.h -rw-rw-r-- root/root 2823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/selformats.h -rw-rw-r-- root/root 54 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/stdwx.cpp -rw-rw-r-- root/root 1728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/stdwx.h -rw-rw-r-- root/root 1849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/RDKitConv.cpp -rw-rw-r-- root/root 13360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/alias.cpp -rw-rw-r-- root/root 50144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/atom.cpp -rw-rw-r-- root/root 21961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/base.cpp -rw-rw-r-- root/root 19745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/bitvec.cpp -rw-rw-r-- root/root 18762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/bond.cpp -rw-rw-r-- root/root 9156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/bondtyper.cpp -rw-rw-r-- root/root 65365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/builder.cpp -rw-rw-r-- root/root 69873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/canon.cpp -rw-rw-r-- root/root 65500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/chains.cpp -rw-rw-r-- root/root 2063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/chargemodel.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/ -rw-rw-r-- root/root 10149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/eem.cpp -rw-rw-r-- root/root 9241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/eqeq.cpp -rw-rw-r-- root/root 2608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/eqeq.h -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/fromfile.cpp -rw-rw-r-- root/root 1796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/gasteiger.cpp -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/mmff94.cpp -rw-rw-r-- root/root 1717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/none.cpp -rw-rw-r-- root/root 12650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/qeq.cpp -rw-rw-r-- root/root 2354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/qeq.h -rw-rw-r-- root/root 13111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/qtpie.cpp -rw-rw-r-- root/root 2567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/qtpie.h -rw-rw-r-- root/root 4575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/config.h.cmake -rw-rw-r-- root/root 42411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp -rw-rw-r-- root/root 15952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/confsearch.cpp -rw-rw-r-- root/root 20402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/data.cpp -rw-rw-r-- root/root 6636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/data_utilities.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/ -rw-rw-r-- root/root 6876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/asciipainter.cpp -rw-rw-r-- root/root 6035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/cairopainter.cpp -rw-rw-r-- root/root 3920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/commandpainter.cpp -rw-rw-r-- root/root 42853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/depict.cpp -rw-rw-r-- root/root 7564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/svgpainter.cpp -rw-rw-r-- root/root 20933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptor.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptors/ -rw-rw-r-- root/root 2252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptors/cansmidescriptor.cpp -rw-rw-r-- root/root 3372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptors/cmpdfilter.cpp -rw-rw-r-- root/root 6960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptors/filters.cpp -rw-rw-r-- root/root 7138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptors/groupcontrib.cpp -rw-rw-r-- root/root 3428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptors/inchidescriptor.cpp -rw-rw-r-- root/root 3266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptors/smartsdescriptors.cpp -rw-rw-r-- root/root 53352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp -rw-rw-r-- root/root 4914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/dlhandler_unix.cpp -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/dlhandler_win32.cpp -rw-rw-r-- root/root 13517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/doxygen_pages.cpp -rw-rw-r-- root/root 168048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/elements.cpp -rw-rw-r-- root/root 16774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/elementtable.h -rw-rw-r-- root/root 28844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/fingerprint.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/fingerprints/ -rw-rw-r-- root/root 9015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/fingerprints/finger2.cpp -rw-rw-r-- root/root 11656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/fingerprints/finger3.cpp -rw-rw-r-- root/root 8338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/fingerprints/fingerecfp.cpp -rw-rw-r-- root/root 130864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/ -rw-rw-r-- root/root 53917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldgaff.cpp -rw-rw-r-- root/root 6561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldgaff.h -rw-rw-r-- root/root 41475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldghemical.cpp -rw-rw-r-- root/root 6071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldghemical.h -rw-rw-r-- root/root 23220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmm2.cpp -rw-rw-r-- root/root 4700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmm2.h -rw-rw-r-- root/root 173193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp -rw-rw-r-- root/root 12785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h -rw-rw-r-- root/root 64091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefielduff.cpp -rw-rw-r-- root/root 6283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefielduff.h -rw-rw-r-- root/root 3899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/format.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/ -rw-rw-r-- root/root 1695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/APIInterface.cpp -rw-rw-r-- root/root 3556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/ArrayList.c -rw-rw-r-- root/root 1838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/ArrayList.h -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/CMakeLists.txt -rw-rw-r-- root/root 5152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/CSRformat.cpp -rw-rw-r-- root/root 42920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp -rw-rw-r-- root/root 12643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MNAformat.cpp -rw-rw-r-- root/root 12065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/PQSformat.cpp -rw-rw-r-- root/root 8058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/abinitformat.cpp -rw-rw-r-- root/root 9486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/acesformat.cpp -rw-rw-r-- root/root 5302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/acrformat.cpp -rw-rw-r-- root/root 38559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/adfformat.cpp -rw-rw-r-- root/root 6432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/alchemyformat.cpp -rw-rw-r-- root/root 3791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/amberformat.cpp -rw-rw-r-- root/root 5586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/aoforceformat.cpp -rw-rw-r-- root/root 5702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/asciiformat.cpp -rw-rw-r-- root/root 5172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/balstformat.cpp -rw-rw-r-- root/root 8819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/bgfformat.cpp -rw-rw-r-- root/root 6404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/boxformat.cpp -rw-rw-r-- root/root 10983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cacaoformat.cpp -rw-rw-r-- root/root 5748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cacheformat.cpp -rw-rw-r-- root/root 6383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/carformat.cpp -rw-rw-r-- root/root 7540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/castepformat.cpp -rw-rw-r-- root/root 3929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cccformat.cpp -rw-rw-r-- root/root 9389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chem3dformat.cpp -rw-rw-r-- root/root 25518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemdrawcdx.cpp -rw-rw-r-- root/root 5098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemdrawct.cpp -rw-rw-r-- root/root 32446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemkinformat.cpp -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemtoolformat.cpp -rw-rw-r-- root/root 69817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cifformat.cpp -rw-rw-r-- root/root 13157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cofformat.cpp -rw-rw-r-- root/root 6784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/confabreport.cpp -rw-rw-r-- root/root 2715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/copyformat.cpp -rw-rw-r-- root/root 14109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crkformat.cpp -rw-rw-r-- root/root 9919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crystal09format.cpp -rw-rw-r-- root/root 4435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cssrformat.cpp -rw-rw-r-- root/root 12419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/daltonformat.cpp -rw-rw-r-- root/root 14927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/dlpolyformat.cpp -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/dmolformat.cpp -rw-rw-r-- root/root 8064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/exampleformat.cpp -rw-rw-r-- root/root 21834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/exyzformat.cpp -rw-rw-r-- root/root 138419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fastaformat.cpp -rw-rw-r-- root/root 25776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fastsearchformat.cpp -rw-rw-r-- root/root 33092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fchkformat.cpp -rw-rw-r-- root/root 4560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/featformat.cpp -rw-rw-r-- root/root 3876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fhformat.cpp -rw-rw-r-- root/root 5739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fhiaimsformat.cpp -rw-rw-r-- root/root 8155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fingerprintformat.cpp -rw-rw-r-- root/root 5467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/formats.cmake -rw-rw-r-- root/root 5827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fpsformat.cpp -rw-rw-r-- root/root 8814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/freefracformat.cpp -rw-rw-r-- root/root 38642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessformat.cpp -rw-rw-r-- root/root 42522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessukformat.cpp -rw-rw-r-- root/root 25897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gausscubeformat.cpp -rw-rw-r-- root/root 51232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gaussformat.cpp -rw-rw-r-- root/root 11988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gausszmatformat.cpp -rw-rw-r-- root/root 5102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/genbankformat.cpp -rw-rw-r-- root/root 7448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/getinchi.cpp -rw-rw-r-- root/root 8290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/ghemicalformat.cpp -rw-rw-r-- root/root 15215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/groformat.cpp -rw-rw-r-- root/root 5569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gromos96format.cpp -rw-rw-r-- root/root 12268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gulpformat.cpp -rw-rw-r-- root/root 6716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/hinformat.cpp -rw-rw-r-- root/root 26828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/inchiformat.cpp -rw-rw-r-- root/root 9389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/jaguarformat.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/json/ -rw-rw-r-- root/root 19920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/json/chemdoodlejsonformat.cpp -rw-rw-r-- root/root 47023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/json/pubchemjsonformat.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ -rw-rw-r-- root/root 915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/CMakeLists.txt -rw-rw-r-- root/root 417340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichi_bns.c -rw-rw-r-- root/root 30928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichi_io.c -rw-rw-r-- root/root 211730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichican2.c -rw-rw-r-- root/root 100468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichicano.c -rw-rw-r-- root/root 82185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichicans.c -rw-rw-r-- root/root 4873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichiisot.c -rw-rw-r-- root/root 13450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichilnct.c -rw-rw-r-- root/root 53346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichimak2.c -rw-rw-r-- root/root 204863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichimake.c -rw-rw-r-- root/root 37934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichimap1.c -rw-rw-r-- root/root 137336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichimap2.c -rw-rw-r-- root/root 85970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichimap4.c -rw-rw-r-- root/root 138620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichinorm.c -rw-rw-r-- root/root 2081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichiparm.c -rw-rw-r-- root/root 172615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichiprt1.c -rw-rw-r-- root/root 61298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichiprt2.c -rw-rw-r-- root/root 171869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichiprt3.c -rw-rw-r-- root/root 60138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichiqueu.c -rw-rw-r-- root/root 358162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichiread.c -rw-rw-r-- root/root 10900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichiring.c -rw-rw-r-- root/root 219593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichirvr1.c -rw-rw-r-- root/root 291220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichirvr2.c -rw-rw-r-- root/root 287889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichirvr3.c -rw-rw-r-- root/root 146970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichirvr4.c -rw-rw-r-- root/root 60358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichirvr5.c -rw-rw-r-- root/root 64322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichirvr6.c -rw-rw-r-- root/root 111900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichirvr7.c -rw-rw-r-- root/root 21607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichisort.c -rw-rw-r-- root/root 168465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichister.c -rw-rw-r-- root/root 209320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ichitaut.c -rw-rw-r-- root/root 113102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ikey_base26.c -rw-rw-r-- root/root 17198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/ikey_dll.c -rw-rw-r-- root/root 91938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/inchi_dll.c -rw-rw-r-- root/root 54969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/inchi_dll_a.c -rw-rw-r-- root/root 105693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/inchi_dll_a2.c -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/inchi_dll_main.c -rw-rw-r-- root/root 194288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/runichi.c -rw-rw-r-- root/root 13393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/sha2.c -rw-rw-r-- root/root 197522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/strutil.c -rw-rw-r-- root/root 48644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/libinchi/util.c -rw-rw-r-- root/root 15752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lmpdatformat.cpp -rw-rw-r-- root/root 14162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lpmdformat.cpp -rw-rw-r-- root/root 10960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/maeformat.cpp -rw-rw-r-- root/root 16057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdffformat.cpp -rw-rw-r-- root/root 77961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdlformat.cpp -rw-rw-r-- root/root 13763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdlvalence.h -rw-rw-r-- root/root 44934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mmcifformat.cpp -rw-rw-r-- root/root 7710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mmodformat.cpp -rw-rw-r-- root/root 26518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mol2format.cpp -rw-rw-r-- root/root 15429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/moldenformat.cpp -rw-rw-r-- root/root 10630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/molproformat.cpp -rw-rw-r-- root/root 4974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/molreport.cpp -rw-rw-r-- root/root 35216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mopacformat.cpp -rw-rw-r-- root/root 10485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mpdformat.cpp -rw-rw-r-- root/root 6074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mpqcformat.cpp -rw-rw-r-- root/root 8835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/msiformat.cpp -rw-rw-r-- root/root 4057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/msmsformat.cpp -rw-rw-r-- root/root 1209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nulformat.cpp -rw-rw-r-- root/root 42163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp -rw-rw-r-- root/root 10545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/opendxformat.cpp -rw-rw-r-- root/root 26464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/orcaformat.cpp -rw-rw-r-- root/root 7433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/outformat.cpp -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/painterformat.cpp -rw-rw-r-- root/root 6915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pcmodelformat.cpp -rw-rw-r-- root/root 42942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbformat.cpp -rw-rw-r-- root/root 43523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbqtformat.cpp -rw-rw-r-- root/root 9349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/png2format.cpp -rw-rw-r-- root/root 15047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pngformat.cpp -rw-rw-r-- root/root 9424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pointcloudformat.cpp -rw-rw-r-- root/root 7213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/posformat.cpp -rw-rw-r-- root/root 29655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/povrayformat.cpp -rw-rw-r-- root/root 19108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pqrformat.cpp -rw-rw-r-- root/root 9633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pwscfformat.cpp -rw-rw-r-- root/root 13256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/qchemformat.cpp -rw-rw-r-- root/root 13893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/reportformat.cpp -rw-rw-r-- root/root 6842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/rinchiformat.cpp -rw-rw-r-- root/root 8146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/rsmiformat.cpp -rw-rw-r-- root/root 10975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/rxnformat.cpp -rw-rw-r-- root/root 4712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/shelxformat.cpp -rw-rw-r-- root/root 14368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/siestaformat.cpp -rw-rw-r-- root/root 143102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp -rw-rw-r-- root/root 2025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesvalence.h -rw-rw-r-- root/root 85570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smiley.h -rw-rw-r-- root/root 15790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp -rw-rw-r-- root/root 9206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/stlformat.cpp -rw-rw-r-- root/root 21949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/svgformat.cpp -rw-rw-r-- root/root 2791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/textformat.cpp -rw-rw-r-- root/root 6008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/thermoformat.cpp -rw-rw-r-- root/root 14715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/tinkerformat.cpp -rw-rw-r-- root/root 2308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/titleformat.cpp -rw-rw-r-- root/root 5314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/turbomoleformat.cpp -rw-rw-r-- root/root 4632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/unichemformat.cpp -rw-rw-r-- root/root 27413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/vaspformat.cpp -rw-rw-r-- root/root 5764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/viewmolformat.cpp -rw-rw-r-- root/root 52324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/wln-nextmove.cpp -rw-rw-r-- root/root 6143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/wlnformat.cpp -rw-rw-r-- root/root 4296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xedformat.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/ -rw-rw-r-- root/root 13614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cdxmlformat.cpp -rw-rw-r-- root/root 96480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlformat.cpp -rw-rw-r-- root/root 27074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlreactformat.cpp -rw-rw-r-- root/root 4771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/iconv.h -rw-rw-r-- root/root 5562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/pubchem.cpp -rw-rw-r-- root/root 16413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/xml.cpp -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/xmlformat.cpp -rw-rw-r-- root/root 6803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xsfformat.cpp -rw-rw-r-- root/root 34884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xtcformat.cpp -rw-rw-r-- root/root 12497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xyzformat.cpp -rw-rw-r-- root/root 18917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/yasaraformat.cpp -rw-rw-r-- root/root 7091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/zindoformat.cpp -rw-rw-r-- root/root 46457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/generic.cpp -rw-rw-r-- root/root 23722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/graphsym.cpp -rw-rw-r-- root/root 14650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/grid.cpp -rw-rw-r-- root/root 7119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/griddata.cpp -rw-rw-r-- root/root 22697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/isomorphism.cpp -rw-rw-r-- root/root 14297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/kekulize.cpp -rw-rw-r-- root/root 3965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/locale.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/math/ -rw-rw-r-- root/root 13519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/math/align.cpp -rw-rw-r-- root/root 21944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/math/matrix3x3.cpp -rw-rw-r-- root/root 19919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/math/spacegroup.cpp -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/math/transform3d.cpp -rw-rw-r-- root/root 10492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/math/vector3.cpp -rw-rw-r-- root/root 11436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/matrix.cpp -rw-rw-r-- root/root 280732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp -rw-rw-r-- root/root 118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/memcpy.c -rw-rw-r-- root/root 139508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mol.cpp -rw-rw-r-- root/root 9332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/molchrg.cpp -rw-rw-r-- root/root 61584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/obconversion.cpp -rw-rw-r-- root/root 8363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/oberror.cpp -rw-rw-r-- root/root 21770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/obfunctions.cpp -rw-rw-r-- root/root 36375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/obiter.cpp -rw-rw-r-- root/root 20224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/obmolecformat.cpp -rw-rw-r-- root/root 36098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/obutil.cpp -rw-rw-r-- root/root 1042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/op.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/ -rw-rw-r-- root/root 2047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/addfilename.cpp -rw-rw-r-- root/root 1894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/addinindex.cpp -rw-rw-r-- root/root 1748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/addnonpolarh.cpp -rw-rw-r-- root/root 1722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/addpolarh.cpp -rw-rw-r-- root/root 2245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/canonical.cpp -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/changecell.cpp -rw-rw-r-- root/root 11389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/conformer.cpp -rw-rw-r-- root/root 3464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/deferred.h -rw-rw-r-- root/root 1761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/delnonpolarh.cpp -rw-rw-r-- root/root 1731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/delpolarh.cpp -rw-rw-r-- root/root 9256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/fillUC.cpp -rw-rw-r-- root/root 8953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/forcefield.cpp -rw-rw-r-- root/root 2711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/gen2D.cpp -rw-rw-r-- root/root 6258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/gen3d.cpp -rw-rw-r-- root/root 8020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/largest.cpp -rw-rw-r-- root/root 8113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/loader.cpp -rw-rw-r-- root/root 4604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/neutralize.cpp -rw-rw-r-- root/root 2724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/op2d.cpp -rw-rw-r-- root/root 9932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opalign.cpp -rw-rw-r-- root/root 5846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opconfab.cpp -rw-rw-r-- root/root 5294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/ophighlight.cpp -rw-rw-r-- root/root 14236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opisomorph.cpp -rw-rw-r-- root/root 2823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opisomorph.h -rw-rw-r-- root/root 7565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opsplit.cpp -rw-rw-r-- root/root 4001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/optransform.cpp -rw-rw-r-- root/root 2864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/partialcharges.cpp -rw-rw-r-- root/root 3810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/readconformers.cpp -rw-rw-r-- root/root 6154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/sort.cpp -rw-rw-r-- root/root 5898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/unique.cpp -rw-rw-r-- root/root 6428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/xout.cpp -rw-rw-r-- root/root 70102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/parsmart.cpp -rw-rw-r-- root/root 9070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/patty.cpp -rw-rw-r-- root/root 12654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/phmodel.cpp -rw-rw-r-- root/root 23313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/plugin.cpp -rw-rw-r-- root/root 77362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp -rw-rw-r-- root/root 2880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/query.cpp -rw-rw-r-- root/root 11943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/rand.cpp -rw-rw-r-- root/root 3030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/rand.h -rw-rw-r-- root/root 12839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/reactionfacade.cpp -rw-rw-r-- root/root 32032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/residue.cpp -rw-rw-r-- root/root 22524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ring.cpp -rw-rw-r-- root/root 22122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/rotamer.cpp -rw-rw-r-- root/root 30201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/rotor.cpp -rw-rw-r-- root/root 50471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/snprintf.c -rw-rw-r-- root/root 1013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/snprintf.h -rw-rw-r-- root/root 49529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/spectrophore.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/ -rw-rw-r-- root/root 13345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/cistrans.cpp -rw-rw-r-- root/root 6363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/facade.cpp -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/gen3dstereohelper.cpp -rw-rw-r-- root/root 2220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/gen3dstereohelper.h -rw-rw-r-- root/root 116877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/perception.cpp -rw-rw-r-- root/root 7647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/squareplanar.cpp -rw-rw-r-- root/root 2831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/stereo.cpp -rw-rw-r-- root/root 5465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/stereoutil.h -rw-rw-r-- root/root 8557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/tetrahedral.cpp -rw-rw-r-- root/root 1261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/tetranonplanar.cpp -rw-rw-r-- root/root 2594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/tetraplanar.cpp -rw-rw-r-- root/root 2006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/strncasecmp.c -rw-rw-r-- root/root 27604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/tautomer.cpp -rw-rw-r-- root/root 6544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/tokenst.cpp -rw-rw-r-- root/root 9608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/transform.cpp -rw-rw-r-- root/root 30393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/typer.cpp -rw-rw-r-- root/root 10908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/zipstream.h -rw-rw-r-- root/root 25753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/zipstreamimpl.h drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/ -rw-rw-r-- root/root 10865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/CMakeLists.txt -rw-rw-r-- root/root 781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/README -rw-rw-r-- root/root 4407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/addhtest.cpp -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/aliastest.cpp -rw-rw-r-- root/root 11754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/aligntest.cpp -rw-rw-r-- root/root 4731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/aromatest.cpp -rw-rw-r-- root/root 336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/aromatic.pl -rw-rw-r-- root/root 2461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/atom.cpp -rw-rw-r-- root/root 3322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/automorphismtest.cpp -rw-rw-r-- root/root 1741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/bond.cpp -rw-rw-r-- root/root 4241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/buildertest.cpp -rw-rw-r-- root/root 2836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/canonconsistenttest.cpp -rw-rw-r-- root/root 1508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/canonfragmenttest.cpp -rw-rw-r-- root/root 1351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/canonstabletest.cpp -rw-rw-r-- root/root 3269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cansmi.cpp -rwxrwxr-x root/root 2366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cansmiles_shuffle.sh -rw-rw-r-- root/root 3039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/carspacegrouptest.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cdjson/ -rw-rw-r-- root/root 1011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cdjson/butane.json -rw-rw-r-- root/root 14 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cdjson/empty.json -rw-rw-r-- root/root 26 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cdjson/invalid.json -rw-rw-r-- root/root 3 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cdjson/notobject.json -rw-rw-r-- root/root 143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cdjson/proton.json -rw-rw-r-- root/root 5962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/charge_gasteiger.cpp -rw-rw-r-- root/root 6020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/charge_mmff94.cpp -rw-rw-r-- root/root 10809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cifspacegrouptest.cpp -rw-rw-r-- root/root 10541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cistranstest.cpp -rwxrwxr-x root/root 447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cml.sh -rw-rw-r-- root/root 2926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cmlreadfile.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cmltest/ -rw-rw-r-- root/root 208074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cmltest/3d.head.sdf -rw-rw-r-- root/root 333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cmltest/README-UNIX.txt -rw-rw-r-- root/root 2772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cmltest/cs2a.cml -rwxrwxr-x root/root 628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cmltest/cycleformats.bat -rwxrwxr-x root/root 1499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cmltest/cycleformats.sh -rw-rw-r-- root/root 1629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cmltest/nsc2dcml.xml -rw-rw-r-- root/root 1266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cmltest/nsc2dmol.mol -rw-rw-r-- root/root 3549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cmltest/nsc3dcml.xml -rw-rw-r-- root/root 1527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cmltest/nsc3dmol.mol -rw-rw-r-- root/root 138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cmltest/readme.txt -rwxrwxr-x root/root 660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cmltest/test.bat -rwxrwxr-x root/root 2083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/cmltest/test.sh -rw-rw-r-- root/root 3189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/conversion.cpp -rw-rw-r-- root/root 1411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/conversiontest.cpp -rw-rw-r-- root/root 1628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/datatest.cpp -rw-rw-r-- root/root 5254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/ffgaff.cpp -rw-rw-r-- root/root 5325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/ffghemical.cpp -rw-rw-r-- root/root 6519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/ffmmff94.cpp -rw-rw-r-- root/root 5277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/ffuff.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/ -rw-rw-r-- root/root 2229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/00T_ideal.pdb -rw-rw-r-- root/root 2229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/00T_ideal_het.pdb -rw-rw-r-- root/root 1965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/00T_nonstandard.pdb -rw-rw-r-- root/root 1965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/00T_nonstandard_het.pdb -rw-rw-r-- root/root 6923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/102Uridine.smi -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/1519159.cif -rw-rw-r-- root/root 183627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/1DRF.pdb -rw-rw-r-- root/root 13507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/1ubq.pdb.gz -rw-rw-r-- root/root 1625346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/3G61.pdb -rw-rw-r-- root/root 5602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/3d.head.2.cml -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/3o8g_uff.sdf -rw-rw-r-- root/root 779286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/5sun_protein.mol2 -rw-rw-r-- root/root 2660395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/CFGB09.CONFIG -rw-rw-r-- root/root 135494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/CFGT27.CONFIG -rw-rw-r-- root/root 2182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/FormulaTest.smi -rw-rw-r-- root/root 659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/MeCN.cdx -rw-rw-r-- root/root 447893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/addh.in -rw-rw-r-- root/root 671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/alanine.cdxml -rw-rw-r-- root/root 750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/alanine.mol -rw-rw-r-- root/root 656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/alias.mol -rw-rw-r-- root/root 14281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/alias.png -rw-rw-r-- root/root 283238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/aromatics.png -rw-rw-r-- root/root 1402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/aromatics.smi -rw-rw-r-- root/root 16035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/attype.00.smi -rw-rw-r-- root/root 11286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/c3.cml -rw-rw-r-- root/root 1678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/c3.cml.gz -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/c4.mol2.gz -rw-rw-r-- root/root 154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/c5.smi.gz -rw-rw-r-- root/root 121755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/canonstable.can -rw-rw-r-- root/root 271635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/cansmi-roundtrip.smi -rw-rw-r-- root/root 108416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/cantest.sdf -rw-rw-r-- root/root 9728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/charge-gasteiger.txt -rw-rw-r-- root/root 9728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/charge-mmff94.txt -rw-rw-r-- root/root 2852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_00.cof -rw-rw-r-- root/root 3270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_00.mol -rw-rw-r-- root/root 3610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_00.mol2 -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_00_from_mol.cof -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_00_from_mol2.cof -rw-rw-r-- root/root 1484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_01.cof -rw-rw-r-- root/root 1552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_01.mol -rw-rw-r-- root/root 1704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_01.mol2 -rw-rw-r-- root/root 1727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_01_from_mol.cof -rw-rw-r-- root/root 1727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_01_from_mol2.cof -rw-rw-r-- root/root 2597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_02.cof -rw-rw-r-- root/root 3134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_02.mol -rw-rw-r-- root/root 3460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_02.mol2 -rw-rw-r-- root/root 3270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_02_from_mol.cof -rw-rw-r-- root/root 3270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_02_from_mol2.cof -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_03.cof -rw-rw-r-- root/root 4970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_03.mol -rw-rw-r-- root/root 5475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_03.mol2 -rw-rw-r-- root/root 4984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_03_from_mol.cof -rw-rw-r-- root/root 4984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_03_from_mol2.cof -rw-rw-r-- root/root 2195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_04.cof -rw-rw-r-- root/root 2576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_04.mol -rw-rw-r-- root/root 2859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_04.mol2 -rw-rw-r-- root/root 2758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_04_from_mol.cof -rw-rw-r-- root/root 2758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_04_from_mol2.cof -rw-rw-r-- root/root 1374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_05.cof -rw-rw-r-- root/root 1530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_05.mol -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_05.mol2 -rw-rw-r-- root/root 1716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_05_from_mol.cof -rw-rw-r-- root/root 1716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_05_from_mol2.cof -rw-rw-r-- root/root 3059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_06.cof -rw-rw-r-- root/root 2130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_07.cof -rw-rw-r-- root/root 2586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_07.mol -rw-rw-r-- root/root 2839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_07.mol2 -rw-rw-r-- root/root 2685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_07_from_mol.cof -rw-rw-r-- root/root 2685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_07_from_mol2.cof -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_08.cof -rw-rw-r-- root/root 4378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_08.mol -rw-rw-r-- root/root 4806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_08.mol2 -rw-rw-r-- root/root 4378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_08_from_mol.cof -rw-rw-r-- root/root 4378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_08_from_mol2.cof -rw-rw-r-- root/root 1712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_09.cof -rw-rw-r-- root/root 1924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_09.mol -rw-rw-r-- root/root 2138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_09.mol2 -rw-rw-r-- root/root 2135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_09_from_mol.cof -rw-rw-r-- root/root 2135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_09_from_mol2.cof -rw-rw-r-- root/root 2969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_10.cof -rw-rw-r-- root/root 3712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_10.mol -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_10.mol2 -rw-rw-r-- root/root 3746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_10_from_mol.cof -rw-rw-r-- root/root 3746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_10_from_mol2.cof -rw-rw-r-- root/root 3632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_11.cof -rw-rw-r-- root/root 4378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_11.mol -rw-rw-r-- root/root 4806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_11.mol2 -rw-rw-r-- root/root 4377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_11_from_mol.cof -rw-rw-r-- root/root 4377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/culgi_11_from_mol2.cof -rw-rw-r-- root/root 828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/dipole-gasteiger.txt -rw-rw-r-- root/root 828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/dipole-mmff94.txt -rw-rw-r-- root/root 1299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/ethanol.cdx -rw-rw-r-- root/root 14145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/filterset.sdf -rw-rw-r-- root/root 2388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/five_obabel.sdf.gz -rw-rw-r-- root/root 45491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/forcefield.sdf -rw-rw-r-- root/root 10730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/formalchargeresults.txt -rw-rw-r-- root/root 7304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/formularesults.txt -rw-rw-r-- root/root 46670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/gaff.sdf -rw-rw-r-- root/root 304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/gaffresults.txt -rw-rw-r-- root/root 288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/ghemicalresults.txt -rw-rw-r-- root/root 2901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/gzip.in -rw-rw-r-- root/root 1043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/hao_xu_1.mol -rw-rw-r-- root/root 1217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/hao_xu_2.mol -rw-rw-r-- root/root 692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/hao_xu_3.mol -rw-rw-r-- root/root 1353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/hao_xu_4.mol -rw-rw-r-- root/root 1353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/hao_xu_5.mol -rw-rw-r-- root/root 847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/hao_xu_6.mol -rw-rw-r-- root/root 907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/hao_xu_7.mol -rw-rw-r-- root/root 907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/hao_xu_8.mol -rw-rw-r-- root/root 847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/hao_xu_9.mol -rw-rw-r-- root/root 70725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/implicitH.sdf -rw-rw-r-- root/root 344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/invalid-smarts.txt -rw-rw-r-- root/root 854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/invalid-smiles.txt -rw-rw-r-- root/root 1585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/isomorphism1.cml -rw-rw-r-- root/root 51400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/kevlar.sdf -rw-rw-r-- root/root 7291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/maereader.mae -rw-rw-r-- root/root 1465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/maereader.maegz -rw-rw-r-- root/root 1621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/many.sdf.gz -rw-rw-r-- root/root 288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/mmff94e4results.txt -rw-rw-r-- root/root 288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/mmff94results.txt -rw-rw-r-- root/root 288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/mmff94sresults.txt -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/mol24.mol -rw-rw-r-- root/root 4274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/mol24.mol2 -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/mol24_from_mol.cof -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/mol24_from_mol2.cof -rw-rw-r-- root/root 2645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/molrxnmix.cdx -rw-rw-r-- root/root 3580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/monoclinic.car -rw-rw-r-- root/root 16174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/more-mmff94.sdf -rw-rw-r-- root/root 128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/more-mmff94e4results.txt -rw-rw-r-- root/root 128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/more-mmff94results.txt -rw-rw-r-- root/root 128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/more-mmff94sresults.txt -rw-rw-r-- root/root 34148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/nci.smi -rw-rw-r-- root/root 3084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/octane.cml -rw-rw-r-- root/root 5177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/progesterone.sdf -rw-rw-r-- root/root 105004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/random -rw-rw-r-- root/root 78335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/random2 -rw-rw-r-- root/root 100862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/random3 -rw-rw-r-- root/root 4282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/regressiontest_numrotors.mol -rw-rw-r-- root/root 25418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/ringresults.txt drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/rings/ -rw-rw-r-- root/root 830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/rings/bridged1.mdl -rw-rw-r-- root/root 1470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/rings/cubane.mdl -rw-rw-r-- root/root 1286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/rings/cubane2.mdl -rw-rw-r-- root/root 2132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/rings/fullerene20.mdl -rw-rw-r-- root/root 6252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/rings/fullerene60.mdl -rw-rw-r-- root/root 756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/rings/octahedron.mdl -rw-rw-r-- root/root 966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/rings/tetrahedron.mdl -rw-rw-r-- root/root 394969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/smartsresults.txt -rw-rw-r-- root/root 790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/smartstest.txt drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/ -rw-rw-r-- root/root 1220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/adamantanediol.mol -rw-rw-r-- root/root 976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon1.mol -rw-rw-r-- root/root 631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon10.mol -rw-rw-r-- root/root 815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon11.mol -rw-rw-r-- root/root 999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon12.mol -rw-rw-r-- root/root 1183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon13.mol -rw-rw-r-- root/root 815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon14.mol -rw-rw-r-- root/root 815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon15.mol -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon16.mol -rw-rw-r-- root/root 4145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon17.mol -rw-rw-r-- root/root 4138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon17a.mol -rw-rw-r-- root/root 4138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon17b.mol -rw-rw-r-- root/root 1573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon18.mol -rw-rw-r-- root/root 1941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon19.mol -rw-rw-r-- root/root 976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon2.mol -rw-rw-r-- root/root 1621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon20.mol -rw-rw-r-- root/root 2725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon21.mol -rw-rw-r-- root/root 631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon22.mol -rw-rw-r-- root/root 631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon23.mol -rw-rw-r-- root/root 1404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon24.mol -rw-rw-r-- root/root 814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon3.mol -rw-rw-r-- root/root 814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon4.mol -rw-rw-r-- root/root 1296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon5.mol -rw-rw-r-- root/root 906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon6.mol -rw-rw-r-- root/root 906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon7.mol -rw-rw-r-- root/root 1204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon8.mol -rw-rw-r-- root/root 1572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon9.mol -rw-rw-r-- root/root 970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon_cistrans1.mol -rw-rw-r-- root/root 2350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon_cistrans15.mol -rw-rw-r-- root/root 1658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon_cistrans16.mol -rw-rw-r-- root/root 970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon_cistrans2.mol -rw-rw-r-- root/root 992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon_cistrans3.mol -rw-rw-r-- root/root 992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon_cistrans4.mol -rw-rw-r-- root/root 1474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon_cistrans5.mol -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon_cistrans6.mol -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon_cistrans7.mol -rw-rw-r-- root/root 1750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon_cistrans8.mol -rw-rw-r-- root/root 900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/canon_cistrans9.mol -rw-rw-r-- root/root 356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cistrans2D_1.mol -rw-rw-r-- root/root 343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cistrans2D_2.mol -rw-rw-r-- root/root 461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cistrans3D_1.mol -rw-rw-r-- root/root 325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cistrans3D_2.mol -rw-rw-r-- root/root 393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cistrans3D_3.mol -rw-rw-r-- root/root 461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cistrans3D_4.mol -rw-rw-r-- root/root 393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cistrans3D_5.mol -rw-rw-r-- root/root 721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/complex2D_1.mol -rw-rw-r-- root/root 841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/complex2D_2.mol -rw-rw-r-- root/root 628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/complex2D_3.mol -rw-rw-r-- root/root 863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/complex2D_4a.mol -rw-rw-r-- root/root 934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/complex2D_4b.mol -rw-rw-r-- root/root 721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/complex2D_5a.mol -rw-rw-r-- root/root 863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/complex2D_5b.mol -rw-rw-r-- root/root 672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/complex2D_6.mol -rw-rw-r-- root/root 814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/complex2D_7.mol -rw-rw-r-- root/root 808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cyclobutane_D1.mol -rw-rw-r-- root/root 35 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cyclobutane_D1.smi -rw-rw-r-- root/root 808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cyclobutane_D2.mol -rw-rw-r-- root/root 808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cyclobutane_D3.mol -rw-rw-r-- root/root 808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cyclobutane_D4.mol -rw-rw-r-- root/root 808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cyclohexanediol_D1.mol -rw-rw-r-- root/root 808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cyclohexanediol_D2.mol -rw-rw-r-- root/root 900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cyclohexanetriol_D1.mol -rw-rw-r-- root/root 900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/cyclohexanetriol_D2.mol -rw-rw-r-- root/root 938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/error2.smi -rw-rw-r-- root/root 1198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/incorrect_canon1.mol -rw-rw-r-- root/root 1220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/incorrect_canon2.mol -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/inositol_allo.mol -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/inositol_chiroD.mol -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/inositol_chiroL.mol -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/inositol_cis.mol -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/inositol_epi.mol -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/inositol_muco.mol -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/inositol_myo.mol -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/inositol_neo.mol -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/inositol_scyllo.mol -rw-rw-r-- root/root 695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception1.mol -rw-rw-r-- root/root 696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception10.mol -rw-rw-r-- root/root 987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception11.mol -rw-rw-r-- root/root 1055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception12.mol -rw-rw-r-- root/root 1123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception13.mol -rw-rw-r-- root/root 1259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception14.mol -rw-rw-r-- root/root 1191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception15.mol -rw-rw-r-- root/root 1123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception16.mol -rw-rw-r-- root/root 968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception17.mol -rw-rw-r-- root/root 1036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception18.mol -rw-rw-r-- root/root 900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception19.mol -rw-rw-r-- root/root 763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception2.mol -rw-rw-r-- root/root 968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception20.mol -rw-rw-r-- root/root 627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception3.mol -rw-rw-r-- root/root 899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception4.mol -rw-rw-r-- root/root 831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception5.mol -rw-rw-r-- root/root 763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception6.mol -rw-rw-r-- root/root 831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception7.mol -rw-rw-r-- root/root 763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception8.mol -rw-rw-r-- root/root 763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/perception9.mol -rw-rw-r-- root/root 752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_a.mol -rw-rw-r-- root/root 1092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_b.mol -rw-rw-r-- root/root 616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_c.mol -rw-rw-r-- root/root 684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_d.mol -rw-rw-r-- root/root 888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_e.mol -rw-rw-r-- root/root 1043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_f.mol -rw-rw-r-- root/root 975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_g.mol -rw-rw-r-- root/root 907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_h.mol -rw-rw-r-- root/root 684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_i.mol -rw-rw-r-- root/root 1141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_j.mol -rw-rw-r-- root/root 733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_k.mol -rw-rw-r-- root/root 2887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_l.mol -rw-rw-r-- root/root 3760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_m.mol -rw-rw-r-- root/root 1179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_n.mol -rw-rw-r-- root/root 733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_o.mol -rw-rw-r-- root/root 1277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig1_p.mol -rw-rw-r-- root/root 1338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig3.mol -rw-rw-r-- root/root 393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_1.mol -rw-rw-r-- root/root 937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_10.mol -rw-rw-r-- root/root 1209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_11.mol -rw-rw-r-- root/root 1209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_12.mol -rw-rw-r-- root/root 1005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_13.mol -rw-rw-r-- root/root 548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_14.mol -rw-rw-r-- root/root 616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_15.mol -rw-rw-r-- root/root 616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_16.mol -rw-rw-r-- root/root 616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_17.mol -rw-rw-r-- root/root 616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_18.mol -rw-rw-r-- root/root 684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_19.mol -rw-rw-r-- root/root 900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_19_spec1.mol -rw-rw-r-- root/root 900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_19_spec2.mol -rw-rw-r-- root/root 900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_19_spec3.mol -rw-rw-r-- root/root 900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_19_spec4.mol -rw-rw-r-- root/root 900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_19_spec5.mol -rw-rw-r-- root/root 1005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_2.mol -rw-rw-r-- root/root 752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_20.mol -rw-rw-r-- root/root 992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_20_spec1.mol -rw-rw-r-- root/root 820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_21.mol -rw-rw-r-- root/root 616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_22.mol -rw-rw-r-- root/root 616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_23.mol -rw-rw-r-- root/root 616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_24.mol -rw-rw-r-- root/root 1160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_25.mol -rw-rw-r-- root/root 888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_26.mol -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_26_spec1.mol -rw-rw-r-- root/root 752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_27.mol -rw-rw-r-- root/root 684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_28.mol -rw-rw-r-- root/root 684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_29.mol -rw-rw-r-- root/root 869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_3.mol -rw-rw-r-- root/root 325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_30.mol -rw-rw-r-- root/root 393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_31.mol -rw-rw-r-- root/root 461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_32.mol -rw-rw-r-- root/root 529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_33.mol -rw-rw-r-- root/root 597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_34.mol -rw-rw-r-- root/root 461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_35.mol -rw-rw-r-- root/root 597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_36.mol -rw-rw-r-- root/root 1141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_37.mol -rw-rw-r-- root/root 1005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_38.mol -rw-rw-r-- root/root 1073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_39.mol -rw-rw-r-- root/root 733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_4.mol -rw-rw-r-- root/root 1141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_40.mol -rw-rw-r-- root/root 480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_41.mol -rw-rw-r-- root/root 1160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_42.mol -rw-rw-r-- root/root 752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_43.mol -rw-rw-r-- root/root 616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_44.mol -rw-rw-r-- root/root 684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_45.mol -rw-rw-r-- root/root 616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_46.mol -rw-rw-r-- root/root 703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_47.mol -rw-rw-r-- root/root 771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_48.mol -rw-rw-r-- root/root 839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_49.mol -rw-rw-r-- root/root 937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_5.mol -rw-rw-r-- root/root 703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_50.mol -rw-rw-r-- root/root 1062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_51.mol -rw-rw-r-- root/root 1062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_52.mol -rw-rw-r-- root/root 1179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_57.mol -rw-rw-r-- root/root 839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_58.mol -rw-rw-r-- root/root 975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_59.mol -rw-rw-r-- root/root 1290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_59_spec1.mol -rw-rw-r-- root/root 1246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_5_spec.mol -rw-rw-r-- root/root 937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_6.mol -rw-rw-r-- root/root 975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_60.mol -rw-rw-r-- root/root 2033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_61.mol -rw-rw-r-- root/root 1625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_62.mol -rw-rw-r-- root/root 2509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_63.mol -rw-rw-r-- root/root 1062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_64.mol -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_69.mol -rw-rw-r-- root/root 937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_7.mol -rw-rw-r-- root/root 937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_8.mol -rw-rw-r-- root/root 937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/razinger_fig7_9.mol -rw-rw-r-- root/root 415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/tetrahedral2D_1.mol -rw-rw-r-- root/root 344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/tetrahedral2D_2.mol -rw-rw-r-- root/root 344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/tetrahedral2D_3.mol -rw-rw-r-- root/root 415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/tetrahedral2D_4.mol -rw-rw-r-- root/root 415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/tetrahedral2D_5.mol -rw-rw-r-- root/root 344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/tetrahedral2D_6.mol -rw-rw-r-- root/root 344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/tetrahedral2D_7.mol -rw-rw-r-- root/root 344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/tetrahedral2D_8.mol -rw-rw-r-- root/root 356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/tetrahedral2D_9.mol -rw-rw-r-- root/root 393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/tetrahedral3D_1.mol -rw-rw-r-- root/root 393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/tetrahedral3D_2.mol -rw-rw-r-- root/root 325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/tetrahedral3D_3.mol -rw-rw-r-- root/root 325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stereo/tetrahedral3D_4.mol -rw-rw-r-- root/root 1099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/stripresults.txt -rw-rw-r-- root/root 4020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/tencmpds.sdf.gz -rw-rw-r-- root/root 10744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test01.cif -rw-rw-r-- root/root 2612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test02.cif -rw-rw-r-- root/root 2565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test02.nohall.cif -rw-rw-r-- root/root 2743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test03.cif -rw-rw-r-- root/root 2306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test04.cif -rw-rw-r-- root/root 4754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test05.cif -rw-rw-r-- root/root 1933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test06.cif -rw-rw-r-- root/root 2769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test07.cif -rw-rw-r-- root/root 2500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test08.cif -rw-rw-r-- root/root 4446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test09.pdb -rw-rw-r-- root/root 1136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test1.car -rw-rw-r-- root/root 1134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test2.car -rw-rw-r-- root/root 626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test2d.xyz -rw-rw-r-- root/root 1135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test3.car -rw-rw-r-- root/root 1263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/test3d.xyz -rw-rw-r-- root/root 3021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/testsym_2Dtests.sdf -rw-rw-r-- root/root 5593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/testsym_2Dtests_more.sdf -rw-rw-r-- root/root 3233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/testsym_2Dtests_threeligands.sdf -rw-rw-r-- root/root 288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/uffresults.txt -rw-rw-r-- root/root 136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/unitcell.txt -rw-rw-r-- root/root 150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/unitcell_results.txt -rw-rw-r-- root/root 10315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/validsmarts.txt -rw-rw-r-- root/root 19882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/ziptest.sdf.gz -rw-rw-r-- root/root 3895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/formalcharge.cpp -rw-rw-r-- root/root 1999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/format.cpp -rw-rw-r-- root/root 6941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/formula.cpp -rwxrwxr-x root/root 616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/generate.sh -rw-rw-r-- root/root 10318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/graphsymtest.cpp -rw-rw-r-- root/root 4774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/gziptest.cpp -rw-rw-r-- root/root 1107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/implicitHtest.cpp -rw-rw-r-- root/root 378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/inchi.pl drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/inchi/ -rw-rw-r-- root/root 91853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/inchi/Samples.sdf -rw-rw-r-- root/root 29806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/inchi/Samples.sdf.txt -rw-rw-r-- root/root 4315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/inchi/SamplesFail.txt -rw-rw-r-- root/root 136156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/inchi/SamplesTechMan.sdf -rw-rw-r-- root/root 43402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/inchi/SamplesTechMan.sdf.txt -rw-rw-r-- root/root 14976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/inchi/SamplesTechManFail.txt -rw-rw-r-- root/root 2590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/inchi/Steffen_PubChem.smi -rw-rw-r-- root/root 4888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/inchi/Steffen_PubChem.smi.txt -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/inchi/inchi_isotopes.txt -rw-rw-r-- root/root 392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/inchi2.pl -rw-rw-r-- root/root 3796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/inchiwrite.cpp -rw-rw-r-- root/root 1661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/internalcoord.cpp -rw-rw-r-- root/root 4304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/invalidsmarts.cpp -rw-rw-r-- root/root 4715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/invalidsmiles.cpp -rw-rw-r-- root/root 7979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/isomorphismtest.cpp -rw-rw-r-- root/root 4893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/iterators.cpp -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/logp_psa.cpp -rw-rw-r-- root/root 6502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/lssrtest.cpp -rw-rw-r-- root/root 2968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/maereadertest.cpp -rw-rw-r-- root/root 11970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/math.cpp -rw-rw-r-- root/root 1960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/mmff94validate.cpp -rw-rw-r-- root/root 6140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/mol.cpp -rw-rw-r-- root/root 2333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/multicmltest.cpp -rw-rw-r-- root/root 4387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/obbench.h -rw-rw-r-- root/root 953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/obmolbenchmark.cpp -rw-rw-r-- root/root 312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/obtest.cpp -rw-rw-r-- root/root 2090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/obtest.h drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pcjson/ -rw-rw-r-- root/root 8658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pcjson/CID_1038_2D.json -rw-rw-r-- root/root 9927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pcjson/CID_10900_2D.json -rw-rw-r-- root/root 9082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pcjson/CID_123164_2D.json -rw-rw-r-- root/root 12038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pcjson/CID_2244_2D.json -rw-rw-r-- root/root 22909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pcjson/CID_368849_2D.json -rw-rw-r-- root/root 11884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pcjson/CID_6137_2D.json -rw-rw-r-- root/root 9715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pcjson/CID_638186_2D.json -rw-rw-r-- root/root 9715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pcjson/CID_643833_2D.json -rw-rw-r-- root/root 11213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pcjson/CID_6857552_2D.json -rw-rw-r-- root/root 3634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pcjson/SID_348356775_2D.json -rw-rw-r-- root/root 25 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pcjson/empty.json -rw-rw-r-- root/root 38 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pcjson/invalid.json -rw-rw-r-- root/root 3 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pcjson/notobject.json drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/ -rw-rw-r-- root/root 4570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/10gs_vww.sdf -rw-rw-r-- root/root 4012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/12gs_0hh.sdf -rw-rw-r-- root/root 3932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/13gs_sas.sdf -rw-rw-r-- root/root 2614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/19gs_bsp.sdf -rw-rw-r-- root/root 6647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a2n_tet.sdf -rw-rw-r-- root/root 3457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a42_bzu.sdf -rw-rw-r-- root/root 2964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a4l_dcf.sdf -rw-rw-r-- root/root 3015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a4m_prh.sdf -rw-rw-r-- root/root 3997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a4q_dpc.sdf -rw-rw-r-- root/root 4025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a4r_gnh.sdf -rw-rw-r-- root/root 3968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a5h_bba.sdf -rw-rw-r-- root/root 3340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a5v_y3.sdf -rw-rw-r-- root/root 3250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a6v_npc.sdf -rw-rw-r-- root/root 2747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a6w_nip.sdf -rw-rw-r-- root/root 5982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a72_pad.sdf -rw-rw-r-- root/root 2723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a7a_adc.sdf -rw-rw-r-- root/root 8290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a7x_fka.sdf -rw-rw-r-- root/root 2160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a82_dnn.sdf -rw-rw-r-- root/root 3964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a85_0dy.sdf -rw-rw-r-- root/root 3799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a86_0zb.sdf -rw-rw-r-- root/root 4668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a8t_061.sdf -rw-rw-r-- root/root 1948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a96_xan.sdf -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1a97_5gp.sdf -rw-rw-r-- root/root 3365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aax_bpm.sdf -rw-rw-r-- root/root 4112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ab8_fok.sdf -rw-rw-r-- root/root 1630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ac4_tmt.sdf -rw-rw-r-- root/root 1630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ac8_tmz.sdf -rw-rw-r-- root/root 2085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aco_tra.sdf -rw-rw-r-- root/root 3271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ad4_hh2.sdf -rw-rw-r-- root/root 5976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1adb_cnd.sdf -rw-rw-r-- root/root 2955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1add_1da.sdf -rw-rw-r-- root/root 5868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1adg_sad.sdf -rw-rw-r-- root/root 4621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ady_ham.sdf -rw-rw-r-- root/root 1405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aeb_3mt.sdf -rw-rw-r-- root/root 1522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aed_dti.sdf -rw-rw-r-- root/root 1496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aef_3ap.sdf -rw-rw-r-- root/root 1499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aeg_4ap.sdf -rw-rw-r-- root/root 1498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aeh_24t.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aej_nvi.sdf -rw-rw-r-- root/root 1703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aek_idm.sdf -rw-rw-r-- root/root 1745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aem_mpi.sdf -rw-rw-r-- root/root 1530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aen_25t.sdf -rw-rw-r-- root/root 1500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aeo_2ap.sdf -rw-rw-r-- root/root 1482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aeq_2ez.sdf -rw-rw-r-- root/root 2623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aer_tia.sdf -rw-rw-r-- root/root 1376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aeu_2mz.sdf -rw-rw-r-- root/root 1373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aev_amt.sdf -rw-rw-r-- root/root 7009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1afc_scr.sdf -rw-rw-r-- root/root 4346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1afl_atr.sdf -rw-rw-r-- root/root 3952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1afq_0fg.sdf -rw-rw-r-- root/root 3617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1agw_su2.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ah0_sbi.sdf -rw-rw-r-- root/root 6440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ai3_ndo.sdf -rw-rw-r-- root/root 2053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ai4_dhy.sdf -rw-rw-r-- root/root 2191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ai5_mnp.sdf -rw-rw-r-- root/root 3266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aj2_2ph.sdf -rw-rw-r-- root/root 2189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ajn_aan.sdf -rw-rw-r-- root/root 2078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ajp_omd.sdf -rw-rw-r-- root/root 1709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ajq_spa.sdf -rw-rw-r-- root/root 5461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ajv_nmb.sdf -rw-rw-r-- root/root 5343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ajx_ah1.sdf -rw-rw-r-- root/root 3706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1akc_ppe.sdf -rw-rw-r-- root/root 2980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1al7_hst.sdf -rw-rw-r-- root/root 2720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1al8_dhp.sdf -rw-rw-r-- root/root 2706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aln_ctd.sdf -rw-rw-r-- root/root 2211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1alw_isa.sdf -rw-rw-r-- root/root 2290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ami_mic.sdf -rw-rw-r-- root/root 1570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1amr_mae.sdf -rw-rw-r-- root/root 1814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1an9_be2.sdf -rw-rw-r-- root/root 2472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aob_ddu.sdf -rw-rw-r-- root/root 2065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aod_ins.sdf -rw-rw-r-- root/root 3026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aoe_gw3.sdf -rw-rw-r-- root/root 4965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1aqx_gtd.sdf -rw-rw-r-- root/root 3554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1arh_ppd.sdf -rw-rw-r-- root/root 2707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1asc_npl.sdf -rw-rw-r-- root/root 3690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1asl_pla.sdf -rw-rw-r-- root/root 1603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1at1_pct.sdf -rw-rw-r-- root/root 3378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1atl_0qi.sdf -rw-rw-r-- root/root 2060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ax9_edr.sdf -rw-rw-r-- root/root 4620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ayp_inb.sdf -rw-rw-r-- root/root 2805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1az1_alr.sdf -rw-rw-r-- root/root 3720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1az8_in4.sdf -rw-rw-r-- root/root 2201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1azm_azm.sdf -rw-rw-r-- root/root 3741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1b3d_s27.sdf -rw-rw-r-- root/root 1977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1b42_m1a.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1b48_hag.sdf -rw-rw-r-- root/root 1842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1b57_pgh.sdf -rw-rw-r-- root/root 2267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1b5q_md2.sdf -rw-rw-r-- root/root 4585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1b7y_fya.sdf -rw-rw-r-- root/root 3158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1b8n_img.sdf -rw-rw-r-- root/root 3017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1b8o_imh.sdf -rw-rw-r-- root/root 3688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1b8y_in7.sdf -rw-rw-r-- root/root 3542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1b99_fup.sdf -rw-rw-r-- root/root 3571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1b9i_pxg.sdf -rw-rw-r-- root/root 3101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1b9s_fdi.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1b9t_rai.sdf -rw-rw-r-- root/root 3610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1b9v_ra2.sdf -rw-rw-r-- root/root 7235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bb6_umg.sdf -rw-rw-r-- root/root 5576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bb7_gum.sdf -rw-rw-r-- root/root 3384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bg9_af1.sdf -rw-rw-r-- root/root 2170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bgg_gco.sdf -rw-rw-r-- root/root 6005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bil_0iu.sdf -rw-rw-r-- root/root 6407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bim_0qb.sdf -rw-rw-r-- root/root 4139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1biw_s80.sdf -rw-rw-r-- root/root 2987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bju_gp6.sdf -rw-rw-r-- root/root 3647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bjv_gp8.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bk0_acv.sdf -rw-rw-r-- root/root 4113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bkc_inn.sdf -rw-rw-r-- root/root 2037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bke_b3i.sdf -rw-rw-r-- root/root 5472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bkm_1c5.sdf -rw-rw-r-- root/root 1713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bky_1mc.sdf -rw-rw-r-- root/root 6503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bl4_ap1.sdf -rw-rw-r-- root/root 5007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bma_0qh.sdf -rw-rw-r-- root/root 3395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bn3_al6.sdf -rw-rw-r-- root/root 3708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bnm_al8.sdf -rw-rw-r-- root/root 3430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bnn_al1.sdf -rw-rw-r-- root/root 3583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bnt_al2.sdf -rw-rw-r-- root/root 3623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1boz_prd.sdf -rw-rw-r-- root/root 3397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bq4_bhc.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bqi_sba.sdf -rw-rw-r-- root/root 3322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bqm_hby.sdf -rw-rw-r-- root/root 4647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bqo_n25.sdf -rw-rw-r-- root/root 2773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1br5_neo.sdf -rw-rw-r-- root/root 3325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1br6_pt1.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bs1_daa.sdf -rw-rw-r-- root/root 3780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bs4_2pe.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bsj_mln.sdf -rw-rw-r-- root/root 2332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bso_brc.sdf -rw-rw-r-- root/root 1801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bug_urs.sdf -rw-rw-r-- root/root 7079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bv7_xv6.sdf -rw-rw-r-- root/root 3379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bvr_tht.sdf -rw-rw-r-- root/root 4627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bwf_atf.sdf -rw-rw-r-- root/root 2933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bx4_adn.sdf -rw-rw-r-- root/root 5293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bx6_ba1.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bxm_erg.sdf -rw-rw-r-- root/root 5943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bxo_pp7.sdf -rw-rw-r-- root/root 5755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bxq_pp8.sdf -rw-rw-r-- root/root 4521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bye_ata.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bzc_tpi.sdf -rw-rw-r-- root/root 3009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bzj_pic.sdf -rw-rw-r-- root/root 6270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bzl_gcg.sdf -rw-rw-r-- root/root 2375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bzm_mzm.sdf -rw-rw-r-- root/root 3977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bzs_bsi.sdf -rw-rw-r-- root/root 3710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1bzy_imu.sdf -rw-rw-r-- root/root 3096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c0t_bm1.sdf -rw-rw-r-- root/root 3465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c0u_bm5.sdf -rw-rw-r-- root/root 3467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c1b_gca.sdf -rw-rw-r-- root/root 3269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c1c_612.sdf -rw-rw-r-- root/root 5554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c1h_mmp.sdf -rw-rw-r-- root/root 2088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c1x_hfa.sdf -rw-rw-r-- root/root 2117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c22_mf3.sdf -rw-rw-r-- root/root 1907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c23_mph.sdf -rw-rw-r-- root/root 1802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c24_mpj.sdf -rw-rw-r-- root/root 2548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c29_he1.sdf -rw-rw-r-- root/root 4748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c2t_nhs.sdf -rw-rw-r-- root/root 4848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c3e_nhr.sdf -rw-rw-r-- root/root 1761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c3q_tze.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c50_chi.sdf -rw-rw-r-- root/root 2119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c5y_esp.sdf -rw-rw-r-- root/root 1722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c5z_bam.sdf -rw-rw-r-- root/root 4688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c72_epy.sdf -rw-rw-r-- root/root 2844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c81_fdq.sdf -rw-rw-r-- root/root 2784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c83_oai.sdf -rw-rw-r-- root/root 2887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c84_761.sdf -rw-rw-r-- root/root 2395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c85_oba.sdf -rw-rw-r-- root/root 2830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c86_opa.sdf -rw-rw-r-- root/root 2852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c88_ota.sdf -rw-rw-r-- root/root 3968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c8l_bin.sdf -rw-rw-r-- root/root 4448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c8t_tr1.sdf -rw-rw-r-- root/root 2169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c97_ict.sdf -rw-rw-r-- root/root 2665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c9d_hf1.sdf -rw-rw-r-- root/root 6021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c9e_mp1.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1c9y_nva.sdf -rw-rw-r-- root/root 2163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ca7_eno.sdf -rw-rw-r-- root/root 4888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1caq_dps.sdf -rw-rw-r-- root/root 3340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cbq_re9.sdf -rw-rw-r-- root/root 1515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cci_dmi.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ceb_amh.sdf -rw-rw-r-- root/root 1694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cel_ibz.sdf -rw-rw-r-- root/root 3261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cet_clq.sdf -rw-rw-r-- root/root 3871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cg4_imo.sdf -rw-rw-r-- root/root 2969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cgk_nar.sdf -rw-rw-r-- root/root 5862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cgl_0ed.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ch8_gpx.sdf -rw-rw-r-- root/root 7063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1chw_hxc.sdf -rw-rw-r-- root/root 6134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cj1_c78.sdf -rw-rw-r-- root/root 3506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cjb_irp.sdf -rw-rw-r-- root/root 2541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cjf_hom.sdf -rw-rw-r-- root/root 4368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cjk_tat.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cjp_mug.sdf -rw-rw-r-- root/root 1921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ck6_sha.sdf -rw-rw-r-- root/root 6979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cml_mlc.sdf -rw-rw-r-- root/root 3671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cnw_eg1.sdf -rw-rw-r-- root/root 4498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cny_eg3.sdf -rw-rw-r-- root/root 2535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1com_pre.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cp4_bnz.sdf -rw-rw-r-- root/root 1362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cp6_bub.sdf -rw-rw-r-- root/root 2570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cps_cpm.sdf -rw-rw-r-- root/root 3450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cq1_pqq.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cq6_py4.sdf -rw-rw-r-- root/root 3404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cq7_py5.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cq8_py6.sdf -rw-rw-r-- root/root 4139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cqp_803.sdf -rw-rw-r-- root/root 2860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cr6_cpu.sdf -rw-rw-r-- root/root 3300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cs4_101.sdf -rw-rw-r-- root/root 2630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ctt_dhz.sdf -rw-rw-r-- root/root 2741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ctu_zeb.sdf -rw-rw-r-- root/root 3185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cul_103.sdf -rw-rw-r-- root/root 2134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cul_3po.sdf -rw-rw-r-- root/root 2661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cw2_hsp.sdf -rw-rw-r-- root/root 2712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cwu_tdb.sdf -rw-rw-r-- root/root 3703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cx2_s58.sdf -rw-rw-r-- root/root 2529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cx9_nhp.sdf -rw-rw-r-- root/root 3940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1cxv_cbp.sdf -rw-rw-r-- root/root 2033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1czm_aas.sdf -rw-rw-r-- root/root 4903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d0m_blg.sdf -rw-rw-r-- root/root 3656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d0x_mnq.sdf -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d0y_onp.sdf -rw-rw-r-- root/root 3645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d0z_pnq.sdf -rw-rw-r-- root/root 4011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d1a_dae.sdf -rw-rw-r-- root/root 4113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d1b_daq.sdf -rw-rw-r-- root/root 3782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d1c_nmq.sdf -rw-rw-r-- root/root 2082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d1v_ptu.sdf -rw-rw-r-- root/root 1390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d1w_atq.sdf -rw-rw-r-- root/root 2838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d1x_4bt.sdf -rw-rw-r-- root/root 2840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d1y_3bt.sdf -rw-rw-r-- root/root 3822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d3g_bre.sdf -rw-rw-r-- root/root 2935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d3h_a26.sdf -rw-rw-r-- root/root 5967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d4h_beh.sdf -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d5j_mm3.sdf -rw-rw-r-- root/root 1858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d6n_ppo.sdf -rw-rw-r-- root/root 5164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d6w_00r.sdf -rw-rw-r-- root/root 1399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d7i_dss.sdf -rw-rw-r-- root/root 1348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d7j_buq.sdf -rw-rw-r-- root/root 3309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d7v_nma.sdf -rw-rw-r-- root/root 3428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d7x_spc.sdf -rw-rw-r-- root/root 4296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d8f_spi.sdf -rw-rw-r-- root/root 4101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d8m_bbh.sdf -rw-rw-r-- root/root 4659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1d9i_00p.sdf -rw-rw-r-- root/root 2507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dae_ikt.sdf -rw-rw-r-- root/root 2518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dag_dsd.sdf -rw-rw-r-- root/root 3012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dak_dpu.sdf -rw-rw-r-- root/root 7515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dao_fab.sdf -rw-rw-r-- root/root 4084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1db4_8in.sdf -rw-rw-r-- root/root 3951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1db5_6in.sdf -rw-rw-r-- root/root 3354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dcy_i3n.sdf -rw-rw-r-- root/root 4154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dd6_mci.sdf -rw-rw-r-- root/root 4863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dd7_1pm.sdf -rw-rw-r-- root/root 2418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ddo_itr.sdf -rw-rw-r-- root/root 3714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ddx_pgx.sdf -rw-rw-r-- root/root 1934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1de5_rnt.sdf -rw-rw-r-- root/root 1938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1de6_rns.sdf -rw-rw-r-- root/root 6128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ded_qps.sdf -rw-rw-r-- root/root 5954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dfi_nad.sdf -rw-rw-r-- root/root 3286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dg7_wrb.sdf -rw-rw-r-- root/root 2474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dgp_foh.sdf -rw-rw-r-- root/root 4509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dia_l24.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dib_l34.sdf -rw-rw-r-- root/root 1996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1did_dig.sdf -rw-rw-r-- root/root 4324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dig_l37.sdf -rw-rw-r-- root/root 3222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dil_eqp.sdf -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dj9_kam.sdf -rw-rw-r-- root/root 2523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1djw_cip.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1djy_i2p.sdf -rw-rw-r-- root/root 3036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1djz_ip2.sdf -rw-rw-r-- root/root 4665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dkf_bms.sdf -rw-rw-r-- root/root 3001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dl7_nch.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dm6_ph3.sdf -rw-rw-r-- root/root 9512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dmb_bcd.sdf -rw-rw-r-- root/root 2693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dmj_ap4.sdf -rw-rw-r-- root/root 1361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dmj_itu.sdf -rw-rw-r-- root/root 2815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dmk_ap6.sdf -rw-rw-r-- root/root 5431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dmp_dmq.sdf -rw-rw-r-- root/root 1924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dod_dob.sdf -rw-rw-r-- root/root 2173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1doh_nid.sdf -rw-rw-r-- root/root 2079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dp2_lpb.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dpf_gdp.sdf -rw-rw-r-- root/root 2494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dpm_ebp.sdf -rw-rw-r-- root/root 1930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dqa_mah.sdf -rw-rw-r-- root/root 2833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dqo_asg.sdf -rw-rw-r-- root/root 2370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1drt_pcv.sdf -rw-rw-r-- root/root 3819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dtl_bep.sdf -rw-rw-r-- root/root 3484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dtq_fpt.sdf -rw-rw-r-- root/root 3379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dtt_ftc.sdf -rw-rw-r-- root/root 2670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1duv_psq.sdf -rw-rw-r-- root/root 3202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dvj_up6.sdf -rw-rw-r-- root/root 2854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dvu_dbf.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dvy_bpd.sdf -rw-rw-r-- root/root 2968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dvz_ofl.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dwv_4ab.sdf -rw-rw-r-- root/root 2775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dww_h2b.sdf -rw-rw-r-- root/root 2197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dwx_har.sdf -rw-rw-r-- root/root 3282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dx4_760.sdf -rw-rw-r-- root/root 2038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dxo_dqn.sdf -rw-rw-r-- root/root 3540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dy3_87y.sdf -rw-rw-r-- root/root 2907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dy4_snp.sdf -rw-rw-r-- root/root 4379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dyh_dzf.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dzj_ses.sdf -rw-rw-r-- root/root 2049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dzk_prz.sdf -rw-rw-r-- root/root 2481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dzm_bzm.sdf -rw-rw-r-- root/root 2383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1dzp_bzq.sdf -rw-rw-r-- root/root 1921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e00_dhm.sdf -rw-rw-r-- root/root 1964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e02_una.sdf -rw-rw-r-- root/root 1929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e06_ipb.sdf -rw-rw-r-- root/root 3181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e1f_psg.sdf -rw-rw-r-- root/root 4345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e26_gpb.sdf -rw-rw-r-- root/root 2313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e2i_aps.sdf -rw-rw-r-- root/root 2312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e2i_arp.sdf -rw-rw-r-- root/root 2963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e2k_tmc.sdf -rw-rw-r-- root/root 2182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e2m_hpt.sdf -rw-rw-r-- root/root 3340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e2n_rca.sdf -rw-rw-r-- root/root 2502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e2p_ccv.sdf -rw-rw-r-- root/root 4203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e3q_ebw.sdf -rw-rw-r-- root/root 2458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e56_hbo.sdf -rw-rw-r-- root/root 3163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e66_hux.sdf -rw-rw-r-- root/root 2159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e6x_lgc.sdf -rw-rw-r-- root/root 2524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e6z_ngo.sdf -rw-rw-r-- root/root 2026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e70_g2f.sdf -rw-rw-r-- root/root 2172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e7a_pfl.sdf -rw-rw-r-- root/root 1526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e7b_hlt.sdf -rw-rw-r-- root/root 1926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e8g_fcr.sdf -rw-rw-r-- root/root 3245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e8m_p0h.sdf -rw-rw-r-- root/root 3078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e8v_dan.sdf -rw-rw-r-- root/root 3468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e90_myc.sdf -rw-rw-r-- root/root 2686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e92_hbi.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e98_atm.sdf -rw-rw-r-- root/root 7219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1e9a_z5a.sdf -rw-rw-r-- root/root 4763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1eb2_bpo.sdf -rw-rw-r-- root/root 3607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ebm_8og.sdf -rw-rw-r-- root/root 1613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ebu_hse.sdf -rw-rw-r-- root/root 5861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ebu_nda.sdf -rw-rw-r-- root/root 2273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ebv_scl.sdf -rw-rw-r-- root/root 2213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ec8_glr.sdf -rw-rw-r-- root/root 2219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ec9_xyh.sdf -rw-rw-r-- root/root 3342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ecc_pcp.sdf -rw-rw-r-- root/root 2204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ecq_dxg.sdf -rw-rw-r-- root/root 2547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ecv_878.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ed6_ilo.sdf -rw-rw-r-- root/root 3164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1eei_gaa.sdf -rw-rw-r-- root/root 3802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1eet_bfu.sdf -rw-rw-r-- root/root 3125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ef3_fid.sdf -rw-rw-r-- root/root 2963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1efi_gat.sdf -rw-rw-r-- root/root 3012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1efy_bzc.sdf -rw-rw-r-- root/root 2384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1egy_9ap.sdf -rw-rw-r-- root/root 3354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1eh4_ic1.sdf -rw-rw-r-- root/root 3609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ejn_agb.sdf -rw-rw-r-- root/root 2633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ek1_ciu.sdf -rw-rw-r-- root/root 2906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ek2_cdu.sdf -rw-rw-r-- root/root 2084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ek8_dem.sdf -rw-rw-r-- root/root 3835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1eko_i84.sdf -rw-rw-r-- root/root 4603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1el4_ctz.sdf -rw-rw-r-- root/root 4468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ela_0z1.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1elb_0z4.sdf -rw-rw-r-- root/root 4938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1elc_0z3.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1eld_0z0.sdf -rw-rw-r-- root/root 4014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ele_0qn.sdf -rw-rw-r-- root/root 1729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1els_pah.sdf -rw-rw-r-- root/root 2191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1enu_apz.sdf -rw-rw-r-- root/root 1939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1eoc_4nc.sdf -rw-rw-r-- root/root 4795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1eos_u2g.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ep4_s11.sdf -rw-rw-r-- root/root 1590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ep9_cp.sdf -rw-rw-r-- root/root 2297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1eqc_cts.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1equ_eqi.sdf -rw-rw-r-- root/root 3453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1erb_etr.sdf -rw-rw-r-- root/root 1928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1est_tsu.sdf -rw-rw-r-- root/root 5008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1etr_mit.sdf -rw-rw-r-- root/root 5014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ets_mid.sdf -rw-rw-r-- root/root 3359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ev9_gts.sdf -rw-rw-r-- root/root 3969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1eve_e20.sdf -rw-rw-r-- root/root 1666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1evi_2pc.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ew8_pae.sdf -rw-rw-r-- root/root 1413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ew9_mmq.sdf -rw-rw-r-- root/root 6390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ex8_a4p.sdf -rw-rw-r-- root/root 4146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1exa_394.sdf -rw-rw-r-- root/root 3470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1exi_118.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1exx_961.sdf -rw-rw-r-- root/root 1880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1eyw_ten.sdf -rw-rw-r-- root/root 1936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ez2_dii.sdf -rw-rw-r-- root/root 5446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ezf_in0.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f06_2np.sdf -rw-rw-r-- root/root 4403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f0r_815.sdf -rw-rw-r-- root/root 4187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f0s_pr2.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f0t_pr1.sdf -rw-rw-r-- root/root 4685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f0u_rpr.sdf -rw-rw-r-- root/root 5886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f3b_gbx.sdf -rw-rw-r-- root/root 2312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f3e_dpz.sdf -rw-rw-r-- root/root 4006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f3f_d4t.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f4e_tpr.sdf -rw-rw-r-- root/root 4080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f4f_tp3.sdf -rw-rw-r-- root/root 4677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f4g_tp4.sdf -rw-rw-r-- root/root 1501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f57_dcy.sdf -rw-rw-r-- root/root 3737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f6t_tbd.sdf -rw-rw-r-- root/root 3135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f73_hmn.sdf -rw-rw-r-- root/root 3013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f74_nay.sdf -rw-rw-r-- root/root 3082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f8d_9am.sdf -rw-rw-r-- root/root 3088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f8e_49a.sdf -rw-rw-r-- root/root 5742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f92_ukp.sdf -rw-rw-r-- root/root 1453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1f9o_pih.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fax_dx9.sdf -rw-rw-r-- root/root 6605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fb7_roc.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fbg_ahm.sdf -rw-rw-r-- root/root 3040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fbh_afp.sdf -rw-rw-r-- root/root 6044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fbz_cc1.sdf -rw-rw-r-- root/root 4141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fcx_184.sdf -rw-rw-r-- root/root 4097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fcy_564.sdf -rw-rw-r-- root/root 3853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fcz_156.sdf -rw-rw-r-- root/root 4256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fd0_254.sdf -rw-rw-r-- root/root 4113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fd7_ai1.sdf -rw-rw-r-- root/root 3627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fdk_gle.sdf -rw-rw-r-- root/root 3175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fe2_lax.sdf -rw-rw-r-- root/root 4052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fel_fen.sdf -rw-rw-r-- root/root 2992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fen_aze.sdf -rw-rw-r-- root/root 2221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fgh_ath.sdf -rw-rw-r-- root/root 3309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fgi_su1.sdf -rw-rw-r-- root/root 2502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fhv_osb.sdf -rw-rw-r-- root/root 4378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fhw_i5p.sdf -rw-rw-r-- root/root 8258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fi1_rif.sdf -rw-rw-r-- root/root 7134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fkd_818.sdf -rw-rw-r-- root/root 4496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fkg_sb3.sdf -rw-rw-r-- root/root 4519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fkh_sbx.sdf -rw-rw-r-- root/root 4224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fki_sb1.sdf -rw-rw-r-- root/root 3231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fm6_9cr.sdf -rw-rw-r-- root/root 2782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fm8_ddc.sdf -rw-rw-r-- root/root 5362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fmb_hyb.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fmc_cho.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fo3_kif.sdf -rw-rw-r-- root/root 2436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1foj_7i2.sdf -rw-rw-r-- root/root 2080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1foj_7ni.sdf -rw-rw-r-- root/root 2983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fp2_hmo.sdf -rw-rw-r-- root/root 3044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fpb_fdp.sdf -rw-rw-r-- root/root 2929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fpi_ahg.sdf -rw-rw-r-- root/root 4058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fpu_prc.sdf -rw-rw-r-- root/root 4091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1frb_zst.sdf -rw-rw-r-- root/root 1968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fsg_9dg.sdf -rw-rw-r-- root/root 3268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fsg_prp.sdf -rw-rw-r-- root/root 4418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ft4_703.sdf -rw-rw-r-- root/root 1844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ft7_plu.sdf -rw-rw-r-- root/root 2769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ftl_dnq.sdf -rw-rw-r-- root/root 3336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ftx_epc.sdf -rw-rw-r-- root/root 2704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fup_pma.sdf -rw-rw-r-- root/root 2772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fuy_fip.sdf -rw-rw-r-- root/root 1967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fv9_172.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fvv_107.sdf -rw-rw-r-- root/root 2936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1fxu_gu7.sdf -rw-rw-r-- root/root 2338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g0n_phh.sdf -rw-rw-r-- root/root 2206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g0o_pyq.sdf -rw-rw-r-- root/root 3398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g27_bb1.sdf -rw-rw-r-- root/root 5985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g2k_nm1.sdf -rw-rw-r-- root/root 4441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g36_r11.sdf -rw-rw-r-- root/root 2758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g3m_pcq.sdf -rw-rw-r-- root/root 3984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g49_111.sdf -rw-rw-r-- root/root 3570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g4j_ffb.sdf -rw-rw-r-- root/root 3346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g4k_hqq.sdf -rw-rw-r-- root/root 3151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g4p_fqp.sdf -rw-rw-r-- root/root 3732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g4t_ftp.sdf -rw-rw-r-- root/root 4205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g5s_i17.sdf -rw-rw-r-- root/root 1792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g67_icp.sdf -rw-rw-r-- root/root 2204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g67_tzp.sdf -rw-rw-r-- root/root 5258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g7f_inz.sdf -rw-rw-r-- root/root 5735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g7g_inx.sdf -rw-rw-r-- root/root 1685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g85_3ol.sdf -rw-rw-r-- root/root 2425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g9a_bab.sdf -rw-rw-r-- root/root 3406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1g9s_imp.sdf -rw-rw-r-- root/root 4880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gag_112.sdf -rw-rw-r-- root/root 5956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gai_gac.sdf -rw-rw-r-- root/root 6306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gar_u89.sdf -rw-rw-r-- root/root 2637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gcz_yz9.sdf -rw-rw-r-- root/root 2841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gfy_col.sdf -rw-rw-r-- root/root 3166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gg5_e09.sdf -rw-rw-r-- root/root 3261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ggd_faf.sdf -rw-rw-r-- root/root 3196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gi5_123.sdf -rw-rw-r-- root/root 2933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gi6_124.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gi7_120.sdf -rw-rw-r-- root/root 2953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gi8_bmz.sdf -rw-rw-r-- root/root 4062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gij_2pu.sdf -rw-rw-r-- root/root 4498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gil_gsp.sdf -rw-rw-r-- root/root 1817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1giu_ade.sdf -rw-rw-r-- root/root 4020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gj9_134.sdf -rw-rw-r-- root/root 3602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gjc_130.sdf -rw-rw-r-- root/root 5849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gka_axt.sdf -rw-rw-r-- root/root 2319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gkl_fer.sdf -rw-rw-r-- root/root 4397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1glj_ats.sdf -rw-rw-r-- root/root 3688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gm8_sox.sdf -rw-rw-r-- root/root 5539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gnp_agn.sdf -rw-rw-r-- root/root 5804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gnq_cag.sdf -rw-rw-r-- root/root 2753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gpk_hup.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gpn_hub.sdf -rw-rw-r-- root/root 4352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gpu_thd.sdf -rw-rw-r-- root/root 1598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gqg_dcd.sdf -rw-rw-r-- root/root 1844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gqh_koj.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gqs_saf.sdf -rw-rw-r-- root/root 2808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1grq_clk.sdf -rw-rw-r-- root/root 2802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1grr_clc.sdf -rw-rw-r-- root/root 3938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gs4_zk5.sdf -rw-rw-r-- root/root 2162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gs5_nlg.sdf -rw-rw-r-- root/root 3693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gss_lee.sdf -rw-rw-r-- root/root 3936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gsz_r71.sdf -rw-rw-r-- root/root 1685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gt1_3om.sdf -rw-rw-r-- root/root 2399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gt1_anc.sdf -rw-rw-r-- root/root 2091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gt8_uaa.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gtb_pzq.sdf -rw-rw-r-- root/root 3808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1guh_gsb.sdf -rw-rw-r-- root/root 2151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gvc_nta.sdf -rw-rw-r-- root/root 2071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gw1_nin.sdf -rw-rw-r-- root/root 1874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gw9_lxc.sdf -rw-rw-r-- root/root 5137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gwx_433.sdf -rw-rw-r-- root/root 1805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gx2_bho.sdf -rw-rw-r-- root/root 1826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gxz_brt.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gyk_cdg.sdf -rw-rw-r-- root/root 3436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gym_myg.sdf -rw-rw-r-- root/root 6764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gyq_nbd.sdf -rw-rw-r-- root/root 2795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gzf_nir.sdf -rw-rw-r-- root/root 2472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gzm_lda.sdf -rw-rw-r-- root/root 6626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gzp_gm2.sdf -rw-rw-r-- root/root 7064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gzq_pii.sdf -rw-rw-r-- root/root 3029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gzq_twt.sdf -rw-rw-r-- root/root 2949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1gzr_c15.sdf -rw-rw-r-- root/root 2353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h0s_fa6.sdf -rw-rw-r-- root/root 4336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h1d_bia.sdf -rw-rw-r-- root/root 3121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h1m_kmp.sdf -rw-rw-r-- root/root 4712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h22_e10.sdf -rw-rw-r-- root/root 4930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h23_e12.sdf -rw-rw-r-- root/root 4937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h2j_dcb.sdf -rw-rw-r-- root/root 3830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h35_r01.sdf -rw-rw-r-- root/root 3646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h36_r88.sdf -rw-rw-r-- root/root 4054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h37_r02.sdf -rw-rw-r-- root/root 4059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h39_r03.sdf -rw-rw-r-- root/root 3998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h3a_r04.sdf -rw-rw-r-- root/root 3955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h3b_r46.sdf -rw-rw-r-- root/root 3963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h3c_r79.sdf -rw-rw-r-- root/root 1521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h4q_pri.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h66_rh1.sdf -rw-rw-r-- root/root 3570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h69_arh.sdf -rw-rw-r-- root/root 1722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h7x_urf.sdf -rw-rw-r-- root/root 3506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h82_gzz.sdf -rw-rw-r-- root/root 6952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h8d_phw.sdf -rw-rw-r-- root/root 2505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h8l_gem.sdf -rw-rw-r-- root/root 3886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h9u_lg2.sdf -rw-rw-r-- root/root 3299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1h9z_rwf.sdf -rw-rw-r-- root/root 4211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hak_k21.sdf -rw-rw-r-- root/root 3620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hb1_ocv.sdf -rw-rw-r-- root/root 3708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hb2_scv.sdf -rw-rw-r-- root/root 5674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hbv_gan.sdf -rw-rw-r-- root/root 2551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hdq_inf.sdf -rw-rw-r-- root/root 5733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1he3_mbv.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hee_lhy.sdf -rw-rw-r-- root/root 4511 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hf6_ctr.sdf -rw-rw-r-- root/root 3594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hfc_plh.sdf -rw-rw-r-- root/root 4443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hfp_mot.sdf -rw-rw-r-- root/root 6783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hfs_l04.sdf -rw-rw-r-- root/root 5682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hg4_lpp.sdf -rw-rw-r-- root/root 3293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hge_mna.sdf -rw-rw-r-- root/root 3640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hgi_ana.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hgj_amn.sdf -rw-rw-r-- root/root 5478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hii_c20.sdf -rw-rw-r-- root/root 3899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hiy_3an.sdf -rw-rw-r-- root/root 5247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hj1_aoe.sdf -rw-rw-r-- root/root 2250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hkd_gyp.sdf -rw-rw-r-- root/root 2416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hkn_n2m.sdf -rw-rw-r-- root/root 1705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hld_brb.sdf -rw-rw-r-- root/root 3465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hlk_113.sdf -rw-rw-r-- root/root 2875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hmr_ela.sdf -rw-rw-r-- root/root 4439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hna_gdn.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hni_aaa.sdf -rw-rw-r-- root/root 2344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hnn_skf.sdf -rw-rw-r-- root/root 3168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hnv_tbo.sdf -rw-rw-r-- root/root 2540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ho4_pxp.sdf -rw-rw-r-- root/root 4976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hpo_uni.sdf -rw-rw-r-- root/root 4823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hpv_478.sdf -rw-rw-r-- root/root 3379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hpz_aap.sdf -rw-rw-r-- root/root 1718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hqg_orn.sdf -rw-rw-r-- root/root 4992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hrn_03d.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ht5_fl2.sdf -rw-rw-r-- root/root 2407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ht8_34c.sdf -rw-rw-r-- root/root 4389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hte_g23.sdf -rw-rw-r-- root/root 5560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1htf_g26.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hti_pga.sdf -rw-rw-r-- root/root 2053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hu0_oxg.sdf -rw-rw-r-- root/root 1923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hu9_4hm.sdf -rw-rw-r-- root/root 1225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hug_auc.sdf -rw-rw-r-- root/root 4146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1huo_tte.sdf -rw-rw-r-- root/root 5869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hvh_q82.sdf -rw-rw-r-- root/root 6072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hvr_xk2.sdf -rw-rw-r-- root/root 4245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hw8_114.sdf -rw-rw-r-- root/root 4228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hwi_115.sdf -rw-rw-r-- root/root 4542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hwj_116.sdf -rw-rw-r-- root/root 5471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hwk_117.sdf -rw-rw-r-- root/root 4574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hwl_fbi.sdf -rw-rw-r-- root/root 4233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hwr_216.sdf -rw-rw-r-- root/root 3054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hx9_fhp.sdf -rw-rw-r-- root/root 1983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hxk_dmj.sdf -rw-rw-r-- root/root 3927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hy7_mbs.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1hyo_hbu.sdf -rw-rw-r-- root/root 2782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i2z_654.sdf -rw-rw-r-- root/root 2089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i30_826.sdf -rw-rw-r-- root/root 5627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i32_nmd.sdf -rw-rw-r-- root/root 5568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i33_tnd.sdf -rw-rw-r-- root/root 6551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i5r_hyc.sdf -rw-rw-r-- root/root 5040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i6k_tym.sdf -rw-rw-r-- root/root 2195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i7c_mgb.sdf -rw-rw-r-- root/root 4082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i7e_ibs.sdf -rw-rw-r-- root/root 3939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i7g_az2.sdf -rw-rw-r-- root/root 2679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i7m_cg.sdf -rw-rw-r-- root/root 1853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i80_9hx.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i80_imr.sdf -rw-rw-r-- root/root 1864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i83_ntu.sdf -rw-rw-r-- root/root 4344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i8z_inl.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i91_inq.sdf -rw-rw-r-- root/root 3356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i9o_ioc.sdf -rw-rw-r-- root/root 3355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i9p_ioe.sdf -rw-rw-r-- root/root 3358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i9q_iof.sdf -rw-rw-r-- root/root 3029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1i9z_2ip.sdf -rw-rw-r-- root/root 2874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ia1_tq3.sdf -rw-rw-r-- root/root 3007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ia2_tq4.sdf -rw-rw-r-- root/root 1956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iay_avg.sdf -rw-rw-r-- root/root 6879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ida_0po.sdf -rw-rw-r-- root/root 6114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1idb_0do.sdf -rw-rw-r-- root/root 4763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ie8_kh1.sdf -rw-rw-r-- root/root 3761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iei_zes.sdf -rw-rw-r-- root/root 1852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1if2_129.sdf -rw-rw-r-- root/root 3724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1if7_sbr.sdf -rw-rw-r-- root/root 3716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1if9_sbb.sdf -rw-rw-r-- root/root 2323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1igb_ipo.sdf -rw-rw-r-- root/root 5739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ijr_cc0.sdf -rw-rw-r-- root/root 3203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ik3_13s.sdf -rw-rw-r-- root/root 3763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ikg_rex.sdf -rw-rw-r-- root/root 1379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iki_dal.sdf -rw-rw-r-- root/root 3163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iki_rey.sdf -rw-rw-r-- root/root 3232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ikv_efz.sdf -rw-rw-r-- root/root 3083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ikx_pnu.sdf -rw-rw-r-- root/root 3902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iky_msd.sdf -rw-rw-r-- root/root 1839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1il5_ddp.sdf -rw-rw-r-- root/root 2136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1il9_mog.sdf -rw-rw-r-- root/root 2586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1imb_lip.sdf -rw-rw-r-- root/root 2637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1inf_st4.sdf -rw-rw-r-- root/root 2765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ing_st5.sdf -rw-rw-r-- root/root 2800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1inh_st6.sdf -rw-rw-r-- root/root 3242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1inw_axp.sdf -rw-rw-r-- root/root 5228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iop_he6.sdf -rw-rw-r-- root/root 2689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iov_pob.sdf -rw-rw-r-- root/root 4942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iqh_xmf.sdf -rw-rw-r-- root/root 4975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iqi_xmg.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iqk_xmi.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iql_xmj.sdf -rw-rw-r-- root/root 4338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iqm_xmk.sdf -rw-rw-r-- root/root 5649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ish_enp.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1isi_enq.sdf -rw-rw-r-- root/root 1692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ism_nca.sdf -rw-rw-r-- root/root 2491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iss_mcg.sdf -rw-rw-r-- root/root 7462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1it6_cyu.sdf -rw-rw-r-- root/root 2659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1itu_cil.sdf -rw-rw-r-- root/root 1809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iut_pab.sdf -rw-rw-r-- root/root 2418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ivc_st2.sdf -rw-rw-r-- root/root 2659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ivd_st1.sdf -rw-rw-r-- root/root 2288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ive_st3.sdf -rw-rw-r-- root/root 7796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ivp_1zk.sdf -rw-rw-r-- root/root 5890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ivq_0px.sdf -rw-rw-r-- root/root 3725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ivr_cba.sdf -rw-rw-r-- root/root 3580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iwh_pem.sdf -rw-rw-r-- root/root 3912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ix1_bb2.sdf -rw-rw-r-- root/root 2195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ixn_dxp.sdf -rw-rw-r-- root/root 2539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iy7_cxa.sdf -rw-rw-r-- root/root 4228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1iyl_r64.sdf -rw-rw-r-- root/root 2878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j01_xil.sdf -rw-rw-r-- root/root 4857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j07_dcu.sdf -rw-rw-r-- root/root 2654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j0n_ceg.sdf -rw-rw-r-- root/root 1689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j14_ben.sdf -rw-rw-r-- root/root 4685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j17_zen.sdf -rw-rw-r-- root/root 4829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j1a_bhp.sdf -rw-rw-r-- root/root 2975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j20_as1.sdf -rw-rw-r-- root/root 2260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j2y_dqa.sdf -rw-rw-r-- root/root 3595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j3i_wra.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j4h_sub.sdf -rw-rw-r-- root/root 3942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j4i_tst.sdf -rw-rw-r-- root/root 5952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j4r_001.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j51_tcz.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j6z_rho.sdf -rw-rw-r-- root/root 4248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j78_vdy.sdf -rw-rw-r-- root/root 4408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j7e_jy.sdf -rw-rw-r-- root/root 2221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1j91_tbs.sdf -rw-rw-r-- root/root 3246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jao_0d3.sdf -rw-rw-r-- root/root 3126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jaq_01s.sdf -rw-rw-r-- root/root 4894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jbw_acq.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jbw_tmf.sdf -rw-rw-r-- root/root 3369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jcm_137.sdf -rw-rw-r-- root/root 4717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jcq_739.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jcs_fii.sdf -rw-rw-r-- root/root 2318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jct_gkr.sdf -rw-rw-r-- root/root 3639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jcx_pai.sdf -rw-rw-r-- root/root 1963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jdj_cfp.sdf -rw-rw-r-- root/root 3071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jdt_mta.sdf -rw-rw-r-- root/root 2973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jdz_fmb.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1je1_gmp.sdf -rw-rw-r-- root/root 2783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jep_dfl.sdf -rw-rw-r-- root/root 4722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jf2_czh.sdf -rw-rw-r-- root/root 5825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jg0_ddt.sdf -rw-rw-r-- root/root 2626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jgt_cma.sdf -rw-rw-r-- root/root 2776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jh1_jst.sdf -rw-rw-r-- root/root 3432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jha_aam.sdf -rw-rw-r-- root/root 1837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jhm_5mb.sdf -rw-rw-r-- root/root 3532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jho_rmb.sdf -rw-rw-r-- root/root 1952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jhp_5ob.sdf -rw-rw-r-- root/root 3658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jhq_pmo.sdf -rw-rw-r-- root/root 3539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jhr_p2p.sdf -rw-rw-r-- root/root 1565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jhu_pcr.sdf -rw-rw-r-- root/root 4260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jii_383.sdf -rw-rw-r-- root/root 4212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jij_629.sdf -rw-rw-r-- root/root 4653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jik_545.sdf -rw-rw-r-- root/root 3980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jil_485.sdf -rw-rw-r-- root/root 4957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jin_ktn.sdf -rw-rw-r-- root/root 3870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jiz_cgs.sdf -rw-rw-r-- root/root 3528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jj9_bbt.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jjb_pe7.sdf -rw-rw-r-- root/root 4694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jjc_fa5.sdf -rw-rw-r-- root/root 3609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jje_bys.sdf -rw-rw-r-- root/root 3945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jjt_bds.sdf -rw-rw-r-- root/root 7587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jk7_oka.sdf -rw-rw-r-- root/root 2401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jki_dg6.sdf -rw-rw-r-- root/root 6894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jkx_138.sdf -rw-rw-r-- root/root 6326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jld_0pp.sdf -rw-rw-r-- root/root 3268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jlg_uc1.sdf -rw-rw-r-- root/root 2981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jlq_sbn.sdf -rw-rw-r-- root/root 4828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jn2_sfp.sdf -rw-rw-r-- root/root 5740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jn4_139.sdf -rw-rw-r-- root/root 3253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jnq_egt.sdf -rw-rw-r-- root/root 2370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jp3_egc.sdf -rw-rw-r-- root/root 1597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jqd_hsm.sdf -rw-rw-r-- root/root 3947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jqe_qun.sdf -rw-rw-r-- root/root 4604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jqy_a32.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jr0_a24.sdf -rw-rw-r-- root/root 4777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jr4_cl4.sdf -rw-rw-r-- root/root 2235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jsz_ndm.sdf -rw-rw-r-- root/root 4173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jut_lyd.sdf -rw-rw-r-- root/root 1723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jv4_tzl.sdf -rw-rw-r-- root/root 2745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jvi_rhc.sdf -rw-rw-r-- root/root 3194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jvu_c2p.sdf -rw-rw-r-- root/root 3784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jvz_cen.sdf -rw-rw-r-- root/root 4792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jwt_bli.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jx1_dfv.sdf -rw-rw-r-- root/root 2386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jx6_ai2.sdf -rw-rw-r-- root/root 4769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1jzs_mrc.sdf -rw-rw-r-- root/root 2116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k0u_dea.sdf -rw-rw-r-- root/root 5363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k0y_cno.sdf -rw-rw-r-- root/root 4925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k1i_fd1.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k1j_fd2.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k1l_fd3.sdf -rw-rw-r-- root/root 4886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k1m_fd4.sdf -rw-rw-r-- root/root 4393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k1o_ign.sdf -rw-rw-r-- root/root 4414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k1p_mel.sdf -rw-rw-r-- root/root 8792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k2o_rfa.sdf -rw-rw-r-- root/root 3435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k3t_brz.sdf -rw-rw-r-- root/root 3121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k3u_iad.sdf -rw-rw-r-- root/root 3053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k4g_aiq.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k4h_apq.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k5s_gro.sdf -rw-rw-r-- root/root 1658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k70_hpy.sdf -rw-rw-r-- root/root 5153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k74_544.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k7e_iag.sdf -rw-rw-r-- root/root 3017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k7f_iav.sdf -rw-rw-r-- root/root 4251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k90_3at.sdf -rw-rw-r-- root/root 3188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k9s_fm1.sdf -rw-rw-r-- root/root 3214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1k9s_fm2.sdf -rw-rw-r-- root/root 3494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kak_fnp.sdf -rw-rw-r-- root/root 4167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kav_fep.sdf -rw-rw-r-- root/root 3336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kbo_340.sdf -rw-rw-r-- root/root 3712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kbq_936.sdf -rw-rw-r-- root/root 1810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kc7_ppr.sdf -rw-rw-r-- root/root 3257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kdk_dht.sdf -rw-rw-r-- root/root 3922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ke6_ls2.sdf -rw-rw-r-- root/root 4060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ke7_ls3.sdf -rw-rw-r-- root/root 3902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ke8_ls4.sdf -rw-rw-r-- root/root 4228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kek_htl.sdf -rw-rw-r-- root/root 3231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kgj_fl8.sdf -rw-rw-r-- root/root 1886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kgt_pml.sdf -rw-rw-r-- root/root 1809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1khf_pep.sdf -rw-rw-r-- root/root 2774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ki3_pe2.sdf -rw-rw-r-- root/root 3304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ki4_btd.sdf -rw-rw-r-- root/root 2856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ki6_ahu.sdf -rw-rw-r-- root/root 2693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ki7_id2.sdf -rw-rw-r-- root/root 2949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ki8_bvd.sdf -rw-rw-r-- root/root 1726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kkf_dpo.sdf -rw-rw-r-- root/root 5990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kkq_471.sdf -rw-rw-r-- root/root 3941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1klk_pmd.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1klm_spp.sdf -rw-rw-r-- root/root 4138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kmh_ttx.sdf -rw-rw-r-- root/root 1899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kmn_hso.sdf -rw-rw-r-- root/root 3628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kms_lih.sdf -rw-rw-r-- root/root 3637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kmv_lii.sdf -rw-rw-r-- root/root 4164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1knu_ypa.sdf -rw-rw-r-- root/root 3919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kpe_adw.sdf -rw-rw-r-- root/root 2883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kpg_16a.sdf -rw-rw-r-- root/root 3202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kph_10a.sdf -rw-rw-r-- root/root 1722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kq0_med.sdf -rw-rw-r-- root/root 5982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kqo_dnd.sdf -rw-rw-r-- root/root 3997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kqu_br4.sdf -rw-rw-r-- root/root 2501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kru_ipt.sdf -rw-rw-r-- root/root 4606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ksn_fxv.sdf -rw-rw-r-- root/root 4684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ksw_nbs.sdf -rw-rw-r-- root/root 3849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kvl_cls.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kvl_thn.sdf -rw-rw-r-- root/root 4863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kvo_oap.sdf -rw-rw-r-- root/root 2654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kw1_lg6.sdf -rw-rw-r-- root/root 1973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kww_mfu.sdf -rw-rw-r-- root/root 1989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kwx_mfb.sdf -rw-rw-r-- root/root 2934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ky5_ady.sdf -rw-rw-r-- root/root 3868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kyn_ktp.sdf -rw-rw-r-- root/root 2415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kyw_hfl.sdf -rw-rw-r-- root/root 3913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kyx_crm.sdf -rw-rw-r-- root/root 3176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kyy_ini.sdf -rw-rw-r-- root/root 4176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kz8_pfe.sdf -rw-rw-r-- root/root 6362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1kzn_cbn.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l2j_etc.sdf -rw-rw-r-- root/root 2902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l2s_stc.sdf -rw-rw-r-- root/root 2692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l3l_lae.sdf -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l4e_rbz.sdf -rw-rw-r-- root/root 1828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l4f_150.sdf -rw-rw-r-- root/root 3325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l4g_ncn.sdf -rw-rw-r-- root/root 1684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l4h_ind.sdf -rw-rw-r-- root/root 1687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l4k_34a.sdf -rw-rw-r-- root/root 1700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l4l_xyd.sdf -rw-rw-r-- root/root 1692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l4m_2ac.sdf -rw-rw-r-- root/root 1570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l4n_2af.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l5k_1rb.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l5l_7rp.sdf -rw-rw-r-- root/root 3442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l5m_7ra.sdf -rw-rw-r-- root/root 1696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l5m_nio.sdf -rw-rw-r-- root/root 1684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l5o_2mp.sdf -rw-rw-r-- root/root 1600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l5r_mrd.sdf -rw-rw-r-- root/root 3187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l6f_pp3.sdf -rw-rw-r-- root/root 3133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l6g_pdd.sdf -rw-rw-r-- root/root 4416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l8g_dbd.sdf -rw-rw-r-- root/root 2045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1l9w_dhs.sdf -rw-rw-r-- root/root 4622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lbt_t80.sdf -rw-rw-r-- root/root 2586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lbx_ipd.sdf -rw-rw-r-- root/root 3551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lc8_33p.sdf -rw-rw-r-- root/root 3081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lca_ump.sdf -rw-rw-r-- root/root 3172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lcb_tmp.sdf -rw-rw-r-- root/root 2768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lcw_shm.sdf -rw-rw-r-- root/root 4695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ld7_u66.sdf -rw-rw-r-- root/root 4577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ld8_u49.sdf -rw-rw-r-- root/root 4337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ldc_fmn.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lde_fpi.sdf -rw-rw-r-- root/root 2539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ldo_snr.sdf -rw-rw-r-- root/root 1702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ldy_cxf.sdf -rw-rw-r-- root/root 5229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lee_r36.sdf -rw-rw-r-- root/root 3591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lel_bh7.sdf -rw-rw-r-- root/root 2929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lev_cli.sdf -rw-rw-r-- root/root 5220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lf2_r37.sdf -rw-rw-r-- root/root 7612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lf3_eh5.sdf -rw-rw-r-- root/root 2402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lgt_bp3.sdf -rw-rw-r-- root/root 3278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lhn_aon.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lhw_esm.sdf -rw-rw-r-- root/root 2988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1li4_noc.sdf -rw-rw-r-- root/root 2197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lij_rpp.sdf -rw-rw-r-- root/root 3040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ljr_gsh.sdf -rw-rw-r-- root/root 2706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ljt_hdi.sdf -rw-rw-r-- root/root 2190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lk7_der.sdf -rw-rw-r-- root/root 2523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lkd_bp6.sdf -rw-rw-r-- root/root 2692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lod_mur.sdf -rw-rw-r-- root/root 3617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lol_xmp.sdf -rw-rw-r-- root/root 4483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lpk_cbb.sdf -rw-rw-r-- root/root 2772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lpp_hds.sdf -rw-rw-r-- root/root 4427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lpz_cmb.sdf -rw-rw-r-- root/root 4429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lqd_cmi.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lr8_ihs.sdf -rw-rw-r-- root/root 2420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lt8_cbh.sdf -rw-rw-r-- root/root 2935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lv0_ger.sdf -rw-rw-r-- root/root 4916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lvk_mnt.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lvu_9pp.sdf -rw-rw-r-- root/root 3295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lw2_u05.sdf -rw-rw-r-- root/root 2064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lwv_ang.sdf -rw-rw-r-- root/root 2075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lww_brg.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lwx_azd.sdf -rw-rw-r-- root/root 3961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lx6_zam.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1lxc_aym.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ly3_cog.sdf -rw-rw-r-- root/root 3626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ly4_coq.sdf -rw-rw-r-- root/root 3668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m0n_hcp.sdf -rw-rw-r-- root/root 3564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m0o_mpm.sdf -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m0p_elp.sdf -rw-rw-r-- root/root 5266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m13_hyf.sdf -rw-rw-r-- root/root 1952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m1o_caa.sdf -rw-rw-r-- root/root 3117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m2p_hna.sdf -rw-rw-r-- root/root 3000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m2q_mnx.sdf -rw-rw-r-- root/root 2996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m2r_mny.sdf -rw-rw-r-- root/root 4688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m48_frg.sdf -rw-rw-r-- root/root 5545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m49_cmm.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m51_tsx.sdf -rw-rw-r-- root/root 4119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m52_p17.sdf -rw-rw-r-- root/root 2853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m5b_bn1.sdf -rw-rw-r-- root/root 2241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m5c_brh.sdf -rw-rw-r-- root/root 2466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m5e_am1.sdf -rw-rw-r-- root/root 1963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m66_bcp.sdf -rw-rw-r-- root/root 1958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m67_boa.sdf -rw-rw-r-- root/root 2335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m6w_12h.sdf -rw-rw-r-- root/root 2333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m78_clz.sdf -rw-rw-r-- root/root 3103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m79_mq1.sdf -rw-rw-r-- root/root 3283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m7a_mqu.sdf -rw-rw-r-- root/root 4576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m7q_dqo.sdf -rw-rw-r-- root/root 3788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m7y_ppg.sdf -rw-rw-r-- root/root 1975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m8d_clw.sdf -rw-rw-r-- root/root 2076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m8i_5ni.sdf -rw-rw-r-- root/root 3965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m9b_ibg.sdf -rw-rw-r-- root/root 2209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1m9t_ine.sdf -rw-rw-r-- root/root 3591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1map_ket.sdf -rw-rw-r-- root/root 3621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1maq_pgu.sdf -rw-rw-r-- root/root 2427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mau_ltn.sdf -rw-rw-r-- root/root 6043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mbb_eeb.sdf -rw-rw-r-- root/root 2523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mbx_ybt.sdf -rw-rw-r-- root/root 5169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mbz_iot.sdf -rw-rw-r-- root/root 2540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mc1_pcx.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1md2_233.sdf -rw-rw-r-- root/root 1944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mdl_smn.sdf -rw-rw-r-- root/root 2078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mdr_apg.sdf -rw-rw-r-- root/root 4685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1me6_ivs.sdf -rw-rw-r-- root/root 3181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1me7_rvp.sdf -rw-rw-r-- root/root 2853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1men_gar.sdf -rw-rw-r-- root/root 5660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mes_dmp.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mfp_idn.sdf -rw-rw-r-- root/root 1817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mg0_dfb.sdf -rw-rw-r-- root/root 2602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mk5_btn.sdf -rw-rw-r-- root/root 4197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mkv_gel.sdf -rw-rw-r-- root/root 2375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mlz_tza.sdf -rw-rw-r-- root/root 4484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mmb_bat.sdf -rw-rw-r-- root/root 4374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mmp_rss.sdf -rw-rw-r-- root/root 4486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mmq_rrs.sdf -rw-rw-r-- root/root 4510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mmr_srs.sdf -rw-rw-r-- root/root 4398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mn7_abt.sdf -rw-rw-r-- root/root 4107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mn9_rtp.sdf -rw-rw-r-- root/root 1951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mo9_kpc.sdf -rw-rw-r-- root/root 3842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mog_rbf.sdf -rw-rw-r-- root/root 2556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mos_agp.sdf -rw-rw-r-- root/root 4718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mq5_xlc.sdf -rw-rw-r-- root/root 5003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mq6_xld.sdf -rw-rw-r-- root/root 2146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mqd_shi.sdf -rw-rw-r-- root/root 2498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mqg_iwd.sdf -rw-rw-r-- root/root 2505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mqh_bwd.sdf -rw-rw-r-- root/root 2367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mqj_hwd.sdf -rw-rw-r-- root/root 2818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mrk_fmc.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mrs_5hu.sdf -rw-rw-r-- root/root 4687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mts_bx3.sdf -rw-rw-r-- root/root 3442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mv9_hxa.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mvn_pco.sdf -rw-rw-r-- root/root 3849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mvt_dtm.sdf -rw-rw-r-- root/root 3108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mx5_htq.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mxc_abp.sdf -rw-rw-r-- root/root 4814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mzc_bne.sdf -rw-rw-r-- root/root 4003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mzn_bm6.sdf -rw-rw-r-- root/root 4186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1mzs_669.sdf -rw-rw-r-- root/root 3152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n0t_at1.sdf -rw-rw-r-- root/root 4949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n0u_so1.sdf -rw-rw-r-- root/root 7268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n1e_nde.sdf -rw-rw-r-- root/root 3999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n1h_ch1.sdf -rw-rw-r-- root/root 2106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n1m_a3m.sdf -rw-rw-r-- root/root 2956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n20_3ag.sdf -rw-rw-r-- root/root 1897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n22_7a8.sdf -rw-rw-r-- root/root 1880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n23_2bn.sdf -rw-rw-r-- root/root 2977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n24_bp2.sdf -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n2b_apc.sdf -rw-rw-r-- root/root 4444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n2i_paj.sdf -rw-rw-r-- root/root 1878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n2j_paf.sdf -rw-rw-r-- root/root 2467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n2v_bdi.sdf -rw-rw-r-- root/root 4014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n38_u3h.sdf -rw-rw-r-- root/root 3905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n46_pfa.sdf -rw-rw-r-- root/root 1374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n4g_pyz.sdf -rw-rw-r-- root/root 3995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n4p_grg.sdf -rw-rw-r-- root/root 4064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n4q_mgm.sdf -rw-rw-r-- root/root 3633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n5j_tyd.sdf -rw-rw-r-- root/root 1959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n5m_gmn.sdf -rw-rw-r-- root/root 4332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n5r_prm.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n5x_tei.sdf -rw-rw-r-- root/root 6316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n69_peh.sdf -rw-rw-r-- root/root 3374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n6b_dmz.sdf -rw-rw-r-- root/root 2227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n7i_ly1.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n7j_idi.sdf -rw-rw-r-- root/root 5185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n95_fth.sdf -rw-rw-r-- root/root 4783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n9a_fti.sdf -rw-rw-r-- root/root 2955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1n9a_hfp.sdf -rw-rw-r-- root/root 3432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nax_ih5.sdf -rw-rw-r-- root/root 4112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nb6_utp.sdf -rw-rw-r-- root/root 1750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nbe_mlt.sdf -rw-rw-r-- root/root 3184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nc1_mth.sdf -rw-rw-r-- root/root 6189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nco_chr.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ncr_w11.sdf -rw-rw-r-- root/root 2896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nd5_2bf.sdf -rw-rw-r-- root/root 4556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nde_mon.sdf -rw-rw-r-- root/root 3675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ndv_fr0.sdf -rw-rw-r-- root/root 2947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ndw_fr2.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ndy_fr3.sdf -rw-rw-r-- root/root 5095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ndz_fr5.sdf -rw-rw-r-- root/root 3307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nfq_aoi.sdf -rw-rw-r-- root/root 4238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nfu_rrp.sdf -rw-rw-r-- root/root 4044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nfw_rrr.sdf -rw-rw-r-- root/root 4620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nfx_rdr.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nfy_rtr.sdf -rw-rw-r-- root/root 3199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nh3_car.sdf -rw-rw-r-- root/root 1582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nht_hda.sdf -rw-rw-r-- root/root 3929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nht_pgs.sdf -rw-rw-r-- root/root 4550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nhu_153.sdf -rw-rw-r-- root/root 5049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nhv_154.sdf -rw-rw-r-- root/root 4720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nhx_ftb.sdf -rw-rw-r-- root/root 4573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ni1_2c5.sdf -rw-rw-r-- root/root 2207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nis_ntc.sdf -rw-rw-r-- root/root 4237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nj5_p5a.sdf -rw-rw-r-- root/root 3068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nje_dcm.sdf -rw-rw-r-- root/root 4736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nl4_ftl.sdf -rw-rw-r-- root/root 5306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nl9_989.sdf -rw-rw-r-- root/root 4852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nm6_l86.sdf -rw-rw-r-- root/root 7153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nmk_sfm.sdf -rw-rw-r-- root/root 4809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nmq_160.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nms_161.sdf -rw-rw-r-- root/root 6061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nmu_mtt.sdf -rw-rw-r-- root/root 3305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nmx_fdm.sdf -rw-rw-r-- root/root 3306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nmz_nym.sdf -rw-rw-r-- root/root 3095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nn3_2dt.sdf -rw-rw-r-- root/root 2701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nnk_ce2.sdf -rw-rw-r-- root/root 3611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1no6_794.sdf -rw-rw-r-- root/root 2392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1now_ifg.sdf -rw-rw-r-- root/root 6004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1npv_l27.sdf -rw-rw-r-- root/root 3551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nq7_arl.sdf -rw-rw-r-- root/root 1844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nqa_g3h.sdf -rw-rw-r-- root/root 3038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nqv_lmz.sdf -rw-rw-r-- root/root 3859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nqw_5yl.sdf -rw-rw-r-- root/root 3849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nqx_rlp.sdf -rw-rw-r-- root/root 4430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nrl_srl.sdf -rw-rw-r-- root/root 8136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nsg_rad.sdf -rw-rw-r-- root/root 4783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nt1_t76.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nup_nmn.sdf -rw-rw-r-- root/root 6155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nuq_nxx.sdf -rw-rw-r-- root/root 4284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nvs_ucm.sdf -rw-rw-r-- root/root 2722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nwg_bgn.sdf -rw-rw-r-- root/root 4350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nwl_964.sdf -rw-rw-r-- root/root 1041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nx8_n7p.sdf -rw-rw-r-- root/root 3285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nxy_sm2.sdf -rw-rw-r-- root/root 2729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nym_cxb.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nyx_drf.sdf -rw-rw-r-- root/root 6215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1nz7_901.sdf -rw-rw-r-- root/root 5489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o07_mxg.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o08_g16.sdf -rw-rw-r-- root/root 3882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o0o_a2p.sdf -rw-rw-r-- root/root 4741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o1s_1nh.sdf -rw-rw-r-- root/root 6301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o1t_2nh.sdf -rw-rw-r-- root/root 3679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o2h_cr3.sdf -rw-rw-r-- root/root 3556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o2j_656.sdf -rw-rw-r-- root/root 3800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o2l_762.sdf -rw-rw-r-- root/root 3686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o2o_950.sdf -rw-rw-r-- root/root 3691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o2p_972.sdf -rw-rw-r-- root/root 3817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o2q_991.sdf -rw-rw-r-- root/root 3888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o2t_783.sdf -rw-rw-r-- root/root 4083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o2u_847.sdf -rw-rw-r-- root/root 4882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o2z_312.sdf -rw-rw-r-- root/root 4778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o30_693.sdf -rw-rw-r-- root/root 3102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o35_802.sdf -rw-rw-r-- root/root 4774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o36_607.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o37_653.sdf -rw-rw-r-- root/root 3663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o39_780.sdf -rw-rw-r-- root/root 3644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o3e_696.sdf -rw-rw-r-- root/root 3217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o3h_907.sdf -rw-rw-r-- root/root 3236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o3j_334.sdf -rw-rw-r-- root/root 3585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o3l_678.sdf -rw-rw-r-- root/root 3563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o3m_785.sdf -rw-rw-r-- root/root 3700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o3p_655.sdf -rw-rw-r-- root/root 5483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o42_843.sdf -rw-rw-r-- root/root 6078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o44_852.sdf -rw-rw-r-- root/root 6328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o46_903.sdf -rw-rw-r-- root/root 5747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o47_822.sdf -rw-rw-r-- root/root 5733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o48_853.sdf -rw-rw-r-- root/root 5970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o49_493.sdf -rw-rw-r-- root/root 5849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o4b_876.sdf -rw-rw-r-- root/root 2468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o4f_790.sdf -rw-rw-r-- root/root 2566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o4g_i59.sdf -rw-rw-r-- root/root 2652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o4h_772.sdf -rw-rw-r-- root/root 2425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o4j_is2.sdf -rw-rw-r-- root/root 1948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o4o_hps.sdf -rw-rw-r-- root/root 2153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o4p_791.sdf -rw-rw-r-- root/root 2295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o4q_256.sdf -rw-rw-r-- root/root 2420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o4r_787.sdf -rw-rw-r-- root/root 2240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o5b_esi.sdf -rw-rw-r-- root/root 4097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o5c_cr9.sdf -rw-rw-r-- root/root 3757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o5e_132.sdf -rw-rw-r-- root/root 4886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o5m_336.sdf -rw-rw-r-- root/root 4599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o5r_fr9.sdf -rw-rw-r-- root/root 1561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o6f_sin.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o6h_w37.sdf -rw-rw-r-- root/root 2918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o6i_0hz.sdf -rw-rw-r-- root/root 816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o6k_mn.sdf -rw-rw-r-- root/root 3742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o6q_r17.sdf -rw-rw-r-- root/root 3942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o6r_r19.sdf -rw-rw-r-- root/root 4344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o79_r23.sdf -rw-rw-r-- root/root 2471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o7a_gdl.sdf -rw-rw-r-- root/root 1795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o7g_npy.sdf -rw-rw-r-- root/root 2157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o7p_ndh.sdf -rw-rw-r-- root/root 4089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o86_lpr.sdf -rw-rw-r-- root/root 1944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o9u_adz.sdf -rw-rw-r-- root/root 2636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1o9v_sng.sdf -rw-rw-r-- root/root 1719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oad_mqd.sdf -rw-rw-r-- root/root 3183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oar_azn.sdf -rw-rw-r-- root/root 2276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oax_anq.sdf -rw-rw-r-- root/root 2529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oay_fur.sdf -rw-rw-r-- root/root 7448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ob2_kir.sdf -rw-rw-r-- root/root 3924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ocb_flg.sdf -rw-rw-r-- root/root 4604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1od7_suw.sdf -rw-rw-r-- root/root 4214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1od9_bnd.sdf -rw-rw-r-- root/root 4822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oda_bdu.sdf -rw-rw-r-- root/root 4668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1odc_a8b.sdf -rw-rw-r-- root/root 3416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1odm_asv.sdf -rw-rw-r-- root/root 3707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1odn_apv.sdf -rw-rw-r-- root/root 5230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1odw_0e8.sdf -rw-rw-r-- root/root 4470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oec_aa2.sdf -rw-rw-r-- root/root 2878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1of1_sct.sdf -rw-rw-r-- root/root 5856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1og1_tad.sdf -rw-rw-r-- root/root 3304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1og5_swf.sdf -rw-rw-r-- root/root 3833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ogu_st8.sdf -rw-rw-r-- root/root 5612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ohk_cop.sdf -rw-rw-r-- root/root 3203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ohp_esr.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ohs_5sd.sdf -rw-rw-r-- root/root 2163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oik_c26.sdf -rw-rw-r-- root/root 1991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oim_noj.sdf -rw-rw-r-- root/root 4360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oir_hdy.sdf -rw-rw-r-- root/root 3743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oit_hdt.sdf -rw-rw-r-- root/root 3970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oiu_n76.sdf -rw-rw-r-- root/root 3827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oiy_n41.sdf -rw-rw-r-- root/root 3562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oiz_trt.sdf -rw-rw-r-- root/root 1353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ojr_2ha.sdf -rw-rw-r-- root/root 6491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1okc_cxt.sdf -rw-rw-r-- root/root 4845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1okz_ucn.sdf -rw-rw-r-- root/root 4308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1olm_vtq.sdf -rw-rw-r-- root/root 3754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1olx_tdp.sdf -rw-rw-r-- root/root 3273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1om1_iqa.sdf -rw-rw-r-- root/root 6925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1onq_slf.sdf -rw-rw-r-- root/root 5486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ony_588.sdf -rw-rw-r-- root/root 3696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1onz_968.sdf -rw-rw-r-- root/root 3234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oo6_sn2.sdf -rw-rw-r-- root/root 3813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oon_bel.sdf -rw-rw-r-- root/root 2987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1opb_ret.sdf -rw-rw-r-- root/root 3239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1opm_iyg.sdf -rw-rw-r-- root/root 5060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ork_atc.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1os0_0pq.sdf -rw-rw-r-- root/root 4833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1os5_nh1.sdf -rw-rw-r-- root/root 4978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1osh_fex.sdf -rw-rw-r-- root/root 4328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1osv_chc.sdf -rw-rw-r-- root/root 2743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ot3_thm.sdf -rw-rw-r-- root/root 4085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ot7_iu5.sdf -rw-rw-r-- root/root 1826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oty_6mp.sdf -rw-rw-r-- root/root 3793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ou6_168.sdf -rw-rw-r-- root/root 3080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oum_tal.sdf -rw-rw-r-- root/root 4755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ouy_094.sdf -rw-rw-r-- root/root 3080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ov6_dbm.sdf -rw-rw-r-- root/root 4551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ove_358.sdf -rw-rw-r-- root/root 2835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ovg_mdr.sdf -rw-rw-r-- root/root 4102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1owd_497.sdf -rw-rw-r-- root/root 4025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1owi_426.sdf -rw-rw-r-- root/root 4178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1owj_155.sdf -rw-rw-r-- root/root 4224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1owk_303.sdf -rw-rw-r-- root/root 3024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oxl_ida.sdf -rw-rw-r-- root/root 2160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oxr_ain.sdf -rw-rw-r-- root/root 1683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oyf_mhn.sdf -rw-rw-r-- root/root 1930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oyo_3id.sdf -rw-rw-r-- root/root 7580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1oz0_ms1.sdf -rw-rw-r-- root/root 4145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ozg_he3.sdf -rw-rw-r-- root/root 2223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1p0e_prf.sdf -rw-rw-r-- root/root 1339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1p0i_bua.sdf -rw-rw-r-- root/root 1822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1p1r_nmh.sdf -rw-rw-r-- root/root 4198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1p44_geq.sdf -rw-rw-r-- root/root 2435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1p4f_drg.sdf -rw-rw-r-- root/root 4604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1p4r_354.sdf -rw-rw-r-- root/root 2970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1p57_cr4.sdf -rw-rw-r-- root/root 2743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1p5z_ar3.sdf -rw-rw-r-- root/root 3271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1p6l_dp1.sdf -rw-rw-r-- root/root 2684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1p6m_dp3.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1p6n_dp9.sdf -rw-rw-r-- root/root 7233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1p7c_t5a.sdf -rw-rw-r-- root/root 4351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1p8d_co1.sdf -rw-rw-r-- root/root 2433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pa9_csn.sdf -rw-rw-r-- root/root 2087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pax_dhq.sdf -rw-rw-r-- root/root 1937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pck_pez.sdf -rw-rw-r-- root/root 3161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pcw_h4p.sdf -rw-rw-r-- root/root 3977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pd9_co4.sdf -rw-rw-r-- root/root 2889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pge_isf.sdf -rw-rw-r-- root/root 6549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pgn_nbp.sdf -rw-rw-r-- root/root 6216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ph0_418.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pha_pfz.sdf -rw-rw-r-- root/root 1936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1phe_piy.sdf -rw-rw-r-- root/root 1936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1phf_pim.sdf -rw-rw-r-- root/root 2597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1phg_myt.sdf -rw-rw-r-- root/root 2262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1phw_n.sdf -rw-rw-r-- root/root 3130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pk9_2fa.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pkf_epd.sdf -rw-rw-r-- root/root 3734 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pl0_bw2.sdf -rw-rw-r-- root/root 3713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pl2_aby.sdf -rw-rw-r-- root/root 3118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pl6_572.sdf -rw-rw-r-- root/root 1965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pl9_fpe.sdf -rw-rw-r-- root/root 4625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pmn_984.sdf -rw-rw-r-- root/root 3098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pmu_9hp.sdf -rw-rw-r-- root/root 2854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1poj_ae1.sdf -rw-rw-r-- root/root 4877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ppk_ivv.sdf -rw-rw-r-- root/root 5666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ppl_1z7.sdf -rw-rw-r-- root/root 5676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ppm_0p1.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pq3_s2c.sdf -rw-rw-r-- root/root 5442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pq6_965.sdf -rw-rw-r-- root/root 3232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pq9_44b.sdf -rw-rw-r-- root/root 1710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pq9_bns.sdf -rw-rw-r-- root/root 4305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pqc_444.sdf -rw-rw-r-- root/root 3031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pr6_xya.sdf -rw-rw-r-- root/root 5688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pro_a88.sdf -rw-rw-r-- root/root 2207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ps6_4tp.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ptr_prb.sdf -rw-rw-r-- root/root 5141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pub_3ph.sdf -rw-rw-r-- root/root 1726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pvf_dpo.sdf -rw-rw-r-- root/root 2426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pvn_mzp.sdf -rw-rw-r-- root/root 1868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pvs_7hp.sdf -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pw1_hel.sdf -rw-rw-r-- root/root 4983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pw6_frb.sdf -rw-rw-r-- root/root 3020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pw7_rab.sdf -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pwh_plv.sdf -rw-rw-r-- root/root 4055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pwl_bfi.sdf -rw-rw-r-- root/root 3909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pwp_nsc.sdf -rw-rw-r-- root/root 3996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pwu_gm6.sdf -rw-rw-r-- root/root 6028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1py2_frh.sdf -rw-rw-r-- root/root 3116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1py5_py1.sdf -rw-rw-r-- root/root 3960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pye_pm1.sdf -rw-rw-r-- root/root 5694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pyn_941.sdf -rw-rw-r-- root/root 3642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pzi_1dm.sdf -rw-rw-r-- root/root 5059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pzj_15b.sdf -rw-rw-r-- root/root 5062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pzj_j15.sdf -rw-rw-r-- root/root 3504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pzk_j12.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pzo_cbt.sdf -rw-rw-r-- root/root 3390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1pzp_fta.sdf -rw-rw-r-- root/root 5181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q0r_akt.sdf -rw-rw-r-- root/root 7289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q0z_aka.sdf -rw-rw-r-- root/root 2092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q11_tye.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q1m_234.sdf -rw-rw-r-- root/root 3503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q20_plo.sdf -rw-rw-r-- root/root 3245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q22_and.sdf -rw-rw-r-- root/root 3409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q2q_wy2.sdf -rw-rw-r-- root/root 3851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q36_skp.sdf -rw-rw-r-- root/root 3263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q3w_atu.sdf -rw-rw-r-- root/root 2636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q4g_bfl.sdf -rw-rw-r-- root/root 3638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q4l_679.sdf -rw-rw-r-- root/root 2209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q4w_dqu.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q54_bhi.sdf -rw-rw-r-- root/root 4941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q5d_epb.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q5h_dud.sdf -rw-rw-r-- root/root 3150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q5k_tmu.sdf -rw-rw-r-- root/root 3035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q65_bhb.sdf -rw-rw-r-- root/root 3260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q66_kmb.sdf -rw-rw-r-- root/root 5844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q6j_335.sdf -rw-rw-r-- root/root 2639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q6k_tco.sdf -rw-rw-r-- root/root 6077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q6m_p27.sdf -rw-rw-r-- root/root 5657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q6n_p90.sdf -rw-rw-r-- root/root 6197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q6p_213.sdf -rw-rw-r-- root/root 2296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q6q_lxp.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q6r_lx1.sdf -rw-rw-r-- root/root 6793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q6s_214.sdf -rw-rw-r-- root/root 3495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q7a_opb.sdf -rw-rw-r-- root/root 7154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q7g_nho.sdf -rw-rw-r-- root/root 4082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q91_dpb.sdf -rw-rw-r-- root/root 3047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q92_drm.sdf -rw-rw-r-- root/root 5507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1q9d_oi1.sdf -rw-rw-r-- root/root 7562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qax_hmg.sdf -rw-rw-r-- root/root 5597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qb1_974.sdf -rw-rw-r-- root/root 4118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qb6_623.sdf -rw-rw-r-- root/root 5036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qb9_806.sdf -rw-rw-r-- root/root 4459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qbn_688.sdf -rw-rw-r-- root/root 4743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qbo_711.sdf -rw-rw-r-- root/root 8009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qbt_146.sdf -rw-rw-r-- root/root 5850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qbu_846.sdf -rw-rw-r-- root/root 5097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qca_fua.sdf -rw-rw-r-- root/root 3135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qcf_pp1.sdf -rw-rw-r-- root/root 1454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qco_aae.sdf -rw-rw-r-- root/root 4806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qcw_fns.sdf -rw-rw-r-- root/root 4750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qf0_ti2.sdf -rw-rw-r-- root/root 4101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qf2_ti3.sdf -rw-rw-r-- root/root 4363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qf4_rpd.sdf -rw-rw-r-- root/root 4364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qf5_rpl.sdf -rw-rw-r-- root/root 6038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qgl_ejt.sdf -rw-rw-r-- root/root 4321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qh5_gbp.sdf -rw-rw-r-- root/root 6637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qhc_pua.sdf -rw-rw-r-- root/root 3216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qhi_bpg.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qin_gip.sdf -rw-rw-r-- root/root 4543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qip_gnb.sdf -rw-rw-r-- root/root 3582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qiq_acc.sdf -rw-rw-r-- root/root 1605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qiz_rco.sdf -rw-rw-r-- root/root 3550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qje_ip1.sdf -rw-rw-r-- root/root 3746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qjf_acs.sdf -rw-rw-r-- root/root 7351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qjq_pfc.sdf -rw-rw-r-- root/root 3527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qju_w01.sdf -rw-rw-r-- root/root 3526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qjx_w02.sdf -rw-rw-r-- root/root 3515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qjy_w03.sdf -rw-rw-r-- root/root 6025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qkc_alb.sdf -rw-rw-r-- root/root 3046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qkm_gen.sdf -rw-rw-r-- root/root 4576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qkn_ral.sdf -rw-rw-r-- root/root 2322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qll_tda.sdf -rw-rw-r-- root/root 7484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qmq_lrb.sdf -rw-rw-r-- root/root 3374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qon_i40.sdf -rw-rw-r-- root/root 1342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qpb_pym.sdf -rw-rw-r-- root/root 8300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qpf_858.sdf -rw-rw-r-- root/root 8314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qpl_587.sdf -rw-rw-r-- root/root 3081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qs4_100.sdf -rw-rw-r-- root/root 4210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qss_dg3.sdf -rw-rw-r-- root/root 4445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qtq_qsi.sdf -rw-rw-r-- root/root 1881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qv6_24b.sdf -rw-rw-r-- root/root 6240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qvn_fri.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qvu_prl.sdf -rw-rw-r-- root/root 2456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qw4_3ar.sdf -rw-rw-r-- root/root 1984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qw5_14w.sdf -rw-rw-r-- root/root 3028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qw8_kho.sdf -rw-rw-r-- root/root 2999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qw9_khp.sdf -rw-rw-r-- root/root 2073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qx1_fmf.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qxk_429.sdf -rw-rw-r-- root/root 4817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qxl_fr8.sdf -rw-rw-r-- root/root 2437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qxs_s70.sdf -rw-rw-r-- root/root 2329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qxw_m1c.sdf -rw-rw-r-- root/root 2467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qxy_m2c.sdf -rw-rw-r-- root/root 2369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qxz_m3c.sdf -rw-rw-r-- root/root 1960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qy2_ipz.sdf -rw-rw-r-- root/root 2646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qy4_6pg.sdf -rw-rw-r-- root/root 3499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qy8_rdi.sdf -rw-rw-r-- root/root 2809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qye_cdy.sdf -rw-rw-r-- root/root 8203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qz5_kab.sdf -rw-rw-r-- root/root 7515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qz6_jas.sdf -rw-rw-r-- root/root 2947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qzr_cdx.sdf -rw-rw-r-- root/root 3933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1qzy_tde.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r0e_dfn.sdf -rw-rw-r-- root/root 4138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r1h_bir.sdf -rw-rw-r-- root/root 3713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r1i_ti1.sdf -rw-rw-r-- root/root 3972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r1j_oir.sdf -rw-rw-r-- root/root 4731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r1k_p1a.sdf -rw-rw-r-- root/root 2217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r1o_sdc.sdf -rw-rw-r-- root/root 4208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r20_hwg.sdf -rw-rw-r-- root/root 1842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r31_mev.sdf -rw-rw-r-- root/root 2131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r33_lka.sdf -rw-rw-r-- root/root 3263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r34_lks.sdf -rw-rw-r-- root/root 2329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r35_i58.sdf -rw-rw-r-- root/root 4146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r3j_dga.sdf -rw-rw-r-- root/root 6172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r3v_1cp.sdf -rw-rw-r-- root/root 6174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r3y_cp3.sdf -rw-rw-r-- root/root 4045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r4l_xx5.sdf -rw-rw-r-- root/root 3426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r58_ao5.sdf -rw-rw-r-- root/root 3544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r5g_ao1.sdf -rw-rw-r-- root/root 3295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r5h_ao2.sdf -rw-rw-r-- root/root 3808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r5k_gw5.sdf -rw-rw-r-- root/root 4371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r6g_442.sdf -rw-rw-r-- root/root 5633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r6n_434.sdf -rw-rw-r-- root/root 4097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r78_fmd.sdf -rw-rw-r-- root/root 5555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r81_ud2.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1r8e_p4p.sdf -rw-rw-r-- root/root 1840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ra0_fpy.sdf -rw-rw-r-- root/root 3106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rbo_cap.sdf -rw-rw-r-- root/root 5291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rbq_keu.sdf -rw-rw-r-- root/root 5673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rbz_kt5.sdf -rw-rw-r-- root/root 5419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rc1_kt3.sdf -rw-rw-r-- root/root 4770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rcj_ma4.sdf -rw-rw-r-- root/root 2883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rco_xdp.sdf -rw-rw-r-- root/root 4315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rcv_bv1.sdf -rw-rw-r-- root/root 4638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rd4_l08.sdf -rw-rw-r-- root/root 4269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rd9_bv2.sdf -rw-rw-r-- root/root 4544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rdp_bv3.sdf -rw-rw-r-- root/root 5458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rdt_570.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rdt_l79.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1re8_bd2.sdf -rw-rw-r-- root/root 3846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rej_b1l.sdf -rw-rw-r-- root/root 5484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rek_b8l.sdf -rw-rw-r-- root/root 3151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rev_tb9.sdf -rw-rw-r-- root/root 4755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rf2_bv4.sdf -rw-rw-r-- root/root 3953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rf4_spq.sdf -rw-rw-r-- root/root 4677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rf9_dbr.sdf -rw-rw-r-- root/root 1852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rfn_pbz.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rg1_ots.sdf -rw-rw-r-- root/root 2879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rgb_eld.sdf -rw-rw-r-- root/root 5512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rhj_pzn.sdf -rw-rw-r-- root/root 3600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rhm_na4.sdf -rw-rw-r-- root/root 4929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rhq_0zz.sdf -rw-rw-r-- root/root 4418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rjk_vdz.sdf -rw-rw-r-- root/root 3855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rkg_vd1.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rkh_vd2.sdf -rw-rw-r-- root/root 2493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rm0_d6p.sdf -rw-rw-r-- root/root 6674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rne_c60.sdf -rw-rw-r-- root/root 3553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ro9_8br.sdf -rw-rw-r-- root/root 4749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ros_deo.sdf -rw-rw-r-- root/root 5121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rpg_cpa.sdf -rw-rw-r-- root/root 3651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rpw_did.sdf -rw-rw-r-- root/root 2011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rqd_gc7.sdf -rw-rw-r-- root/root 4304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rr8_ttc.sdf -rw-rw-r-- root/root 4543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rr8_ttg.sdf -rw-rw-r-- root/root 2210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rry_204.sdf -rw-rw-r-- root/root 2327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rs2_209.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rs4_45p.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rs8_dp2.sdf -rw-rw-r-- root/root 3776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rs9_d7p.sdf -rw-rw-r-- root/root 4949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rsd_psb.sdf -rw-rw-r-- root/root 2431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rsi_977.sdf -rw-rw-r-- root/root 3223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rt1_mkc.sdf -rw-rw-r-- root/root 3794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rt2_tnk.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rt5_uc2.sdf -rw-rw-r-- root/root 2998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rt6_uc3.sdf -rw-rw-r-- root/root 3395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rt7_uc4.sdf -rw-rw-r-- root/root 3121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rti_hef.sdf -rw-rw-r-- root/root 5530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rv1_imz.sdf -rw-rw-r-- root/root 3313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rw8_580.sdf -rw-rw-r-- root/root 3843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rwq_5ap.sdf -rw-rw-r-- root/root 2756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rxo_rub.sdf -rw-rw-r-- root/root 3643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ry0_pg2.sdf -rw-rw-r-- root/root 5836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ry8_rut.sdf -rw-rw-r-- root/root 3620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1rzy_5as.sdf -rw-rw-r-- root/root 3405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s0m_bap.sdf -rw-rw-r-- root/root 4825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s0z_eb1.sdf -rw-rw-r-- root/root 5726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s13_2fh.sdf -rw-rw-r-- root/root 5897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s14_nov.sdf -rw-rw-r-- root/root 2621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s17_gnr.sdf -rw-rw-r-- root/root 4463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s19_mc9.sdf -rw-rw-r-- root/root 2870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s1j_iqz.sdf -rw-rw-r-- root/root 4038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s1s_wac.sdf -rw-rw-r-- root/root 6399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s22_ula.sdf -rw-rw-r-- root/root 2993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s2c_flf.sdf -rw-rw-r-- root/root 2191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s38_maq.sdf -rw-rw-r-- root/root 2069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s39_aqo.sdf -rw-rw-r-- root/root 3913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s3v_tqd.sdf -rw-rw-r-- root/root 3366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s3w_tqt.sdf -rw-rw-r-- root/root 3766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s5z_son.sdf -rw-rw-r-- root/root 4113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s64_778.sdf -rw-rw-r-- root/root 1951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s6h_4bz.sdf -rw-rw-r-- root/root 3352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s6p_iet.sdf -rw-rw-r-- root/root 3578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s6q_tpb.sdf -rw-rw-r-- root/root 1371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s83_4ha.sdf -rw-rw-r-- root/root 5749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s8c_bla.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s9d_afb.sdf -rw-rw-r-- root/root 3603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s9e_adb.sdf -rw-rw-r-- root/root 3406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s9f_ddy.sdf -rw-rw-r-- root/root 3857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s9g_abz.sdf -rw-rw-r-- root/root 4347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s9i_5ea.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s9j_bbm.sdf -rw-rw-r-- root/root 2951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1s9p_des.sdf -rw-rw-r-- root/root 4767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sa5_bmv.sdf -rw-rw-r-- root/root 3596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sc7_m38.sdf -rw-rw-r-- root/root 4291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sc8_2in.sdf -rw-rw-r-- root/root 1396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1scq_cnh.sdf -rw-rw-r-- root/root 1994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sd3_sym.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ses_ahx.sdf -rw-rw-r-- root/root 5130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1seu_sa3.sdf -rw-rw-r-- root/root 3124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sff_ik2.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1siv_psi.sdf -rw-rw-r-- root/root 4606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sj0_e4d.sdf -rw-rw-r-- root/root 5233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1skj_ur2.sdf -rw-rw-r-- root/root 7332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1skx_rfp.sdf -rw-rw-r-- root/root 5129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sl3_170.sdf -rw-rw-r-- root/root 2314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1so3_tx4.sdf -rw-rw-r-- root/root 2970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1soo_h5p.sdf -rw-rw-r-- root/root 5610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sp4_ep2.sdf -rw-rw-r-- root/root 4324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sqa_ui1.sdf -rw-rw-r-- root/root 3017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sqo_ui2.sdf -rw-rw-r-- root/root 3509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sqt_ui3.sdf -rw-rw-r-- root/root 2750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sre_hab.sdf -rw-rw-r-- root/root 3212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1srf_mtb.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1srg_mhb.sdf -rw-rw-r-- root/root 2994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sri_dmb.sdf -rw-rw-r-- root/root 3216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1srj_nab.sdf -rw-rw-r-- root/root 3531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sto_omp.sdf -rw-rw-r-- root/root 4099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1suq_185.sdf -rw-rw-r-- root/root 3990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sv5_65b.sdf -rw-rw-r-- root/root 2891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sv9_dif.sdf -rw-rw-r-- root/root 5045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sve_i01.sdf -rw-rw-r-- root/root 5050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1svg_i04.sdf -rw-rw-r-- root/root 4951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1svh_i08.sdf -rw-rw-r-- root/root 2178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sxg_171.sdf -rw-rw-r-- root/root 2755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1syh_cpw.sdf -rw-rw-r-- root/root 1949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1sze_173.sdf -rw-rw-r-- root/root 4615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1szm_bi4.sdf -rw-rw-r-- root/root 2278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1szo_cax.sdf -rw-rw-r-- root/root 3085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t1r_imb.sdf -rw-rw-r-- root/root 2753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t1s_cbq.sdf -rw-rw-r-- root/root 1752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t24_oxq.sdf -rw-rw-r-- root/root 1743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t25_gag.sdf -rw-rw-r-- root/root 1761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t26_gbd.sdf -rw-rw-r-- root/root 6410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t32_ohh.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t41_id5.sdf -rw-rw-r-- root/root 4523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t4e_diz.sdf -rw-rw-r-- root/root 2309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t4p_2bh.sdf -rw-rw-r-- root/root 1830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t4r_ahi.sdf -rw-rw-r-- root/root 2045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t4t_dir.sdf -rw-rw-r-- root/root 2079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t5f_dhh.sdf -rw-rw-r-- root/root 6629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t5p_1fh.sdf -rw-rw-r-- root/root 3285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t64_tsn.sdf -rw-rw-r-- root/root 5689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t7k_bh0.sdf -rw-rw-r-- root/root 3716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t8i_ehd.sdf -rw-rw-r-- root/root 2415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t93_flv.sdf -rw-rw-r-- root/root 3376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t9b_1cs.sdf -rw-rw-r-- root/root 3600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t9c_1sm.sdf -rw-rw-r-- root/root 4217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1t9w_nfn.sdf -rw-rw-r-- root/root 4702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ta2_176.sdf -rw-rw-r-- root/root 4618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ta6_177.sdf -rw-rw-r-- root/root 5198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tcw_im1.sdf -rw-rw-r-- root/root 3022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tdg_tbe.sdf -rw-rw-r-- root/root 3758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tez_hdf.sdf -rw-rw-r-- root/root 1881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tfj_dka.sdf -rw-rw-r-- root/root 4414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tfz_869.sdf -rw-rw-r-- root/root 4317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tg5_645.sdf -rw-rw-r-- root/root 2831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tgv_5ud.sdf -rw-rw-r-- root/root 2349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tgy_r1p.sdf -rw-rw-r-- root/root 3220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tha_t33.sdf -rw-rw-r-- root/root 3361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1thc_fl9.sdf -rw-rw-r-- root/root 4747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1thl_0db.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1thz_326.sdf -rw-rw-r-- root/root 2573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tip_f6p.sdf -rw-rw-r-- root/root 4508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tjj_lpe.sdf -rw-rw-r-- root/root 4663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tjj_pfs.sdf -rw-rw-r-- root/root 2800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tjp_hpf.sdf -rw-rw-r-- root/root 3759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tka_n3t.sdf -rw-rw-r-- root/root 3757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tkb_n1t.sdf -rw-rw-r-- root/root 3871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tkc_m6t.sdf -rw-rw-r-- root/root 4001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tkd_d3t.sdf -rw-rw-r-- root/root 3229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tkt_h12.sdf -rw-rw-r-- root/root 3152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tkx_gwb.sdf -rw-rw-r-- root/root 3241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tkz_h16.sdf -rw-rw-r-- root/root 3373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tl1_h18.sdf -rw-rw-r-- root/root 3241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tl3_h20.sdf -rw-rw-r-- root/root 3483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tl8_ai3.sdf -rw-rw-r-- root/root 3417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tlc_dgp.sdf -rw-rw-r-- root/root 5073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tlc_f89.sdf -rw-rw-r-- root/root 4802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tmn_0zn.sdf -rw-rw-r-- root/root 1870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1to9_hmh.sdf -rw-rw-r-- root/root 3242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tou_b1v.sdf -rw-rw-r-- root/root 2887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tow_crz.sdf -rw-rw-r-- root/root 3073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tqs_sso.sdf -rw-rw-r-- root/root 3095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tqt_ssd.sdf -rw-rw-r-- root/root 3041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tqu_gha.sdf -rw-rw-r-- root/root 3098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tqv_sse.sdf -rw-rw-r-- root/root 3111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tqw_blt.sdf -rw-rw-r-- root/root 4088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tsl_a15.sdf -rw-rw-r-- root/root 4211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tsm_mr2.sdf -rw-rw-r-- root/root 3861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tv6_cp9.sdf -rw-rw-r-- root/root 3102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tve_178.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tvo_frz.sdf -rw-rw-r-- root/root 4720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tvv_cb3.sdf -rw-rw-r-- root/root 5896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tw3_ert.sdf -rw-rw-r-- root/root 5256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1twn_ver.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1txi_tx5.sdf -rw-rw-r-- root/root 2414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1tzc_pa5.sdf -rw-rw-r-- root/root 5632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u0h_onm.sdf -rw-rw-r-- root/root 3405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u0y_pa7.sdf -rw-rw-r-- root/root 2883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u19_htg.sdf -rw-rw-r-- root/root 3042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u1d_181.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u1e_182.sdf -rw-rw-r-- root/root 3955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u1f_183.sdf -rw-rw-r-- root/root 4085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u1g_bbb.sdf -rw-rw-r-- root/root 2023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u1x_hha.sdf -rw-rw-r-- root/root 3203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u21_p2c.sdf -rw-rw-r-- root/root 2326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u30_gox.sdf -rw-rw-r-- root/root 5042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u30_lag.sdf -rw-rw-r-- root/root 5174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u33_lm2.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u3q_272.sdf -rw-rw-r-- root/root 3128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u3r_338.sdf -rw-rw-r-- root/root 3130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u3s_797.sdf -rw-rw-r-- root/root 2116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u3t_ccb.sdf -rw-rw-r-- root/root 1953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u3w_fxy.sdf -rw-rw-r-- root/root 4436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u4g_hpi.sdf -rw-rw-r-- root/root 4416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u4m_h3s.sdf -rw-rw-r-- root/root 2297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u4o_ndd.sdf -rw-rw-r-- root/root 2452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u5c_bik.sdf -rw-rw-r-- root/root 5682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u65_cp0.sdf -rw-rw-r-- root/root 2867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u68_npr.sdf -rw-rw-r-- root/root 3293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u6q_745.sdf -rw-rw-r-- root/root 7697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u6s_dcc.sdf -rw-rw-r-- root/root 3496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u71_mxa.sdf -rw-rw-r-- root/root 3927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u88_gty.sdf -rw-rw-r-- root/root 2640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u9e_397.sdf -rw-rw-r-- root/root 3488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u9o_cns.sdf -rw-rw-r-- root/root 4206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1u9q_186.sdf -rw-rw-r-- root/root 2846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ubw_gpp.sdf -rw-rw-r-- root/root 4110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1udu_cia.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ueh_oxn.sdf -rw-rw-r-- root/root 638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ueh_unl.sdf -rw-rw-r-- root/root 2113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uf5_cdt.sdf -rw-rw-r-- root/root 2431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uf8_ing.sdf -rw-rw-r-- root/root 2589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uh0_mgc.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uhe_nsn.sdf -rw-rw-r-- root/root 4566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uhh_czp.sdf -rw-rw-r-- root/root 4759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uhj_czb.sdf -rw-rw-r-- root/root 5097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uhk_czn.sdf -rw-rw-r-- root/root 2904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uhl_mei.sdf -rw-rw-r-- root/root 2843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uip_pur.sdf -rw-rw-r-- root/root 4002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uk0_frm.sdf -rw-rw-r-- root/root 4097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uk1_frq.sdf -rw-rw-r-- root/root 2644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uki_537.sdf -rw-rw-r-- root/root 1577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1umc_4mv.sdf -rw-rw-r-- root/root 3006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1umg_2fp.sdf -rw-rw-r-- root/root 4694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uml_fr4.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ump_sqa.sdf -rw-rw-r-- root/root 3649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1unb_pn1.sdf -rw-rw-r-- root/root 3016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ung_alh.sdf -rw-rw-r-- root/root 3200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1unh_ixm.sdf -rw-rw-r-- root/root 3417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uob_pnn.sdf -rw-rw-r-- root/root 4447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uom_pti.sdf -rw-rw-r-- root/root 2671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uou_cmu.sdf -rw-rw-r-- root/root 3462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1upj_u01.sdf -rw-rw-r-- root/root 8978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uqs_gmm.sdf -rw-rw-r-- root/root 4508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1urw_i1p.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1usn_in9.sdf -rw-rw-r-- root/root 3570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ut6_a8n.sdf -rw-rw-r-- root/root 3898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1utt_cp8.sdf -rw-rw-r-- root/root 4407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1utz_pf3.sdf -rw-rw-r-- root/root 4632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uu7_bi2.sdf -rw-rw-r-- root/root 4167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uu9_bi3.sdf -rw-rw-r-- root/root 3726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uum_afi.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uuo_brf.sdf -rw-rw-r-- root/root 3336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uv5_brw.sdf -rw-rw-r-- root/root 1889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uv6_cce.sdf -rw-rw-r-- root/root 3846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uvt_i48.sdf -rw-rw-r-- root/root 3135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uvu_dch.sdf -rw-rw-r-- root/root 2173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uw6_nct.sdf -rw-rw-r-- root/root 2561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uwf_deg.sdf -rw-rw-r-- root/root 2305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uwt_gtl.sdf -rw-rw-r-- root/root 3561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uyc_pu7.sdf -rw-rw-r-- root/root 3909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uyd_pu8.sdf -rw-rw-r-- root/root 4034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uye_pu9.sdf -rw-rw-r-- root/root 4161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uyf_pu1.sdf -rw-rw-r-- root/root 3690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uyh_pu0.sdf -rw-rw-r-- root/root 3806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uyi_puz.sdf -rw-rw-r-- root/root 3612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uyk_pux.sdf -rw-rw-r-- root/root 3775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uym_pu3.sdf -rw-rw-r-- root/root 3111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uyr_d1l.sdf -rw-rw-r-- root/root 3530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uys_h1l.sdf -rw-rw-r-- root/root 2052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uz1_ifl.sdf -rw-rw-r-- root/root 3539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1uzw_cdh.sdf -rw-rw-r-- root/root 2381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v08_ntz.sdf -rw-rw-r-- root/root 3551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v0o_inr.sdf -rw-rw-r-- root/root 2064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v1a_kdg.sdf -rw-rw-r-- root/root 2231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v1j_fa3.sdf -rw-rw-r-- root/root 4676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v1k_3fp.sdf -rw-rw-r-- root/root 1947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v2h_gun.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v2o_anh.sdf -rw-rw-r-- root/root 4145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v39_m7g.sdf -rw-rw-r-- root/root 2772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v3q_2di.sdf -rw-rw-r-- root/root 5046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v3x_d76.sdf -rw-rw-r-- root/root 4824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v40_o16.sdf -rw-rw-r-- root/root 2011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v41_azg.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v45_3dg.sdf -rw-rw-r-- root/root 3236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v48_ha1.sdf -rw-rw-r-- root/root 3410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v4s_mrk.sdf -rw-rw-r-- root/root 2104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v5y_4hc.sdf -rw-rw-r-- root/root 2110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v5z_2hc.sdf -rw-rw-r-- root/root 3327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v79_fr7.sdf -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v7a_frc.sdf -rw-rw-r-- root/root 3737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1v9q_czm.sdf -rw-rw-r-- root/root 3251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1va6_p2s.sdf -rw-rw-r-- root/root 3684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1vaf_arr.sdf -rw-rw-r-- root/root 3166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1vam_pna.sdf -rw-rw-r-- root/root 2058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1vcj_iba.sdf -rw-rw-r-- root/root 1160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1vdv_mos.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1vdv_ysh.sdf -rw-rw-r-- root/root 4926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1veb_i05.sdf -rw-rw-r-- root/root 2638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1vgc_v36.sdf -rw-rw-r-- root/root 4560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1vj3_tab.sdf -rw-rw-r-- root/root 5342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1vj9_5in.sdf -rw-rw-r-- root/root 4547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1vja_7in.sdf -rw-rw-r-- root/root 3310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1vjy_460.sdf -rw-rw-r-- root/root 4280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1vkg_cri.sdf -rw-rw-r-- root/root 3087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1vm1_taz.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1vzq_shy.sdf -rw-rw-r-- root/root 3160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w04_hcg.sdf -rw-rw-r-- root/root 3301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w06_w05.sdf -rw-rw-r-- root/root 2168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w0c_taq.sdf -rw-rw-r-- root/root 4382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w0y_771.sdf -rw-rw-r-- root/root 4080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w0z_si1.sdf -rw-rw-r-- root/root 4432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w11_sk1.sdf -rw-rw-r-- root/root 4557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w13_sm1.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w19_t1p.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w19_t2p.sdf -rw-rw-r-- root/root 4141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w19_t4p.sdf -rw-rw-r-- root/root 4143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w19_t5p.sdf -rw-rw-r-- root/root 2067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w1p_gio.sdf -rw-rw-r-- root/root 2828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w1t_chq.sdf -rw-rw-r-- root/root 2907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w1v_alj.sdf -rw-rw-r-- root/root 3034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w1y_typ.sdf -rw-rw-r-- root/root 3715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w22_nhb.sdf -rw-rw-r-- root/root 4251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w29_ts0.sdf -rw-rw-r-- root/root 4251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w29_ts1.sdf -rw-rw-r-- root/root 3924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w2d_4ip.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w2k_380.sdf -rw-rw-r-- root/root 3538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w2o_p1c.sdf -rw-rw-r-- root/root 1865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w3j_oxz.sdf -rw-rw-r-- root/root 3669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w3v_mdz.sdf -rw-rw-r-- root/root 3775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w3y_pvc.sdf -rw-rw-r-- root/root 5281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w4l_gl8.sdf -rw-rw-r-- root/root 3257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w4o_ua3.sdf -rw-rw-r-- root/root 3067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w4p_um3.sdf -rw-rw-r-- root/root 3293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w4q_umf.sdf -rw-rw-r-- root/root 6154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w6h_tit.sdf -rw-rw-r-- root/root 4351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w6k_lan.sdf -rw-rw-r-- root/root 3095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w6r_gnt.sdf -rw-rw-r-- root/root 3047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w6y_equ.sdf -rw-rw-r-- root/root 3796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w78_pd8.sdf -rw-rw-r-- root/root 4729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w7g_miu.sdf -rw-rw-r-- root/root 5364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w7x_413.sdf -rw-rw-r-- root/root 3735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w82_l10.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w83_l11.sdf -rw-rw-r-- root/root 1857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w8l_1p3.sdf -rw-rw-r-- root/root 2155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w8m_e1p.sdf -rw-rw-r-- root/root 5016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w96_s1a.sdf -rw-rw-r-- root/root 3857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w9b_cgt.sdf -rw-rw-r-- root/root 1363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1w9b_gol.sdf -rw-rw-r-- root/root 2321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wax_lo1.sdf -rw-rw-r-- root/root 2349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wb5_syr.sdf -rw-rw-r-- root/root 2137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wb6_vxx.sdf -rw-rw-r-- root/root 5959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wbk_568.sdf -rw-rw-r-- root/root 3967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wbn_l09.sdf -rw-rw-r-- root/root 4534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wbs_li2.sdf -rw-rw-r-- root/root 4530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wbt_wbt.sdf -rw-rw-r-- root/root 4455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wci_wwf.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wda_bag.sdf -rw-rw-r-- root/root 3857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wkg_poi.sdf -rw-rw-r-- root/root 3854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wm0_plb.sdf -rw-rw-r-- root/root 2627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wm1_ptb.sdf -rw-rw-r-- root/root 4527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wn6_bst.sdf -rw-rw-r-- root/root 1873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1woa_g2h.sdf -rw-rw-r-- root/root 3034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wok_cnq.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wop_ffo.sdf -rw-rw-r-- root/root 4574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wqv_psm.sdf -rw-rw-r-- root/root 2127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wrr_unc.sdf -rw-rw-r-- root/root 2010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ws4_amg.sdf -rw-rw-r-- root/root 5624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wss_3cb.sdf -rw-rw-r-- root/root 4630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wsv_thh.sdf -rw-rw-r-- root/root 5584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wtg_3bp.sdf -rw-rw-r-- root/root 9789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wua_ap8.sdf -rw-rw-r-- root/root 5342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wun_p5b.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wut_bn2.sdf -rw-rw-r-- root/root 4001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wuy_bn3.sdf -rw-rw-r-- root/root 4125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wv0_bn4.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wv1_bn5.sdf -rw-rw-r-- root/root 5818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wv7_5pi.sdf -rw-rw-r-- root/root 2815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wvj_ibc.sdf -rw-rw-r-- root/root 3521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wvx_bd4.sdf -rw-rw-r-- root/root 2649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wxj_ipl.sdf -rw-rw-r-- root/root 3797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wxy_frk.sdf -rw-rw-r-- root/root 4271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wxz_frl.sdf -rw-rw-r-- root/root 4269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wzd_yok.sdf -rw-rw-r-- root/root 4036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wzf_yol.sdf -rw-rw-r-- root/root 3671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wzg_yom.sdf -rw-rw-r-- root/root 3997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1wzy_f29.sdf -rw-rw-r-- root/root 2862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x1i_46m.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x1j_46d.sdf -rw-rw-r-- root/root 3802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x29_pmg.sdf -rw-rw-r-- root/root 3672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x2a_pdg.sdf -rw-rw-r-- root/root 2359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x2b_stx.sdf -rw-rw-r-- root/root 2375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x2e_atx.sdf -rw-rw-r-- root/root 6064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x6n_ao3.sdf -rw-rw-r-- root/root 3055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x6u_do8.sdf -rw-rw-r-- root/root 4050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x70_715.sdf -rw-rw-r-- root/root 1944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x71_db1.sdf -rw-rw-r-- root/root 2900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x76_697.sdf -rw-rw-r-- root/root 3029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x78_244.sdf -rw-rw-r-- root/root 5022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x7a_187.sdf -rw-rw-r-- root/root 3020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x7b_041.sdf -rw-rw-r-- root/root 4714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x81_jan.sdf -rw-rw-r-- root/root 2444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x84_sbh.sdf -rw-rw-r-- root/root 3107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x88_nat.sdf -rw-rw-r-- root/root 6810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x89_cm1.sdf -rw-rw-r-- root/root 3943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x8i_bmh.sdf -rw-rw-r-- root/root 3702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x8r_sc1.sdf -rw-rw-r-- root/root 3703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x8t_rc1.sdf -rw-rw-r-- root/root 6692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x8u_cm2.sdf -rw-rw-r-- root/root 3249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x8v_esl.sdf -rw-rw-r-- root/root 3144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x97_fir.sdf -rw-rw-r-- root/root 3608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1x9d_smd.sdf -rw-rw-r-- root/root 2782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xai_crb.sdf -rw-rw-r-- root/root 3106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xan_hxp.sdf -rw-rw-r-- root/root 4331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xbo_ix1.sdf -rw-rw-r-- root/root 2089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xbx_hms.sdf -rw-rw-r-- root/root 4789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xcw_3sa.sdf -rw-rw-r-- root/root 6120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xcx_iab.sdf -rw-rw-r-- root/root 7443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xd0_are.sdf -rw-rw-r-- root/root 8862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xd1_6sa.sdf -rw-rw-r-- root/root 6036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xdd_aay.sdf -rw-rw-r-- root/root 6151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xdg_ab8.sdf -rw-rw-r-- root/root 6526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xe5_5fe.sdf -rw-rw-r-- root/root 6413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xe6_5fp.sdf -rw-rw-r-- root/root 1961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xfg_hga.sdf -rw-rw-r-- root/root 3140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xgi_nst.sdf -rw-rw-r-- root/root 3246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xgj_htc.sdf -rw-rw-r-- root/root 8785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xh0_aao.sdf -rw-rw-r-- root/root 5036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xh4_r69.sdf -rw-rw-r-- root/root 5787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xh5_r68.sdf -rw-rw-r-- root/root 5383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xh6_r94.sdf -rw-rw-r-- root/root 5640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xh7_r96.sdf -rw-rw-r-- root/root 5640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xh8_r55.sdf -rw-rw-r-- root/root 2798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xi2_cb1.sdf -rw-rw-r-- root/root 1731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xij_the.sdf -rw-rw-r-- root/root 2710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xiv_rb2.sdf -rw-rw-r-- root/root 4071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xka_4pp.sdf -rw-rw-r-- root/root 3160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xkx_imk.sdf -rw-rw-r-- root/root 5494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xl2_189.sdf -rw-rw-r-- root/root 5375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xl5_190.sdf -rw-rw-r-- root/root 3007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xl8_ocb.sdf -rw-rw-r-- root/root 2109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xli_glt.sdf -rw-rw-r-- root/root 1695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xlm_xyl.sdf -rw-rw-r-- root/root 2071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xlr_vnl.sdf -rw-rw-r-- root/root 3469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xls_tcd.sdf -rw-rw-r-- root/root 1487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xlu_isp.sdf -rw-rw-r-- root/root 3162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xlz_fil.sdf -rw-rw-r-- root/root 7390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xm1_gah.sdf -rw-rw-r-- root/root 3614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xm4_pil.sdf -rw-rw-r-- root/root 2940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xm6_5rm.sdf -rw-rw-r-- root/root 3756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xmu_rof.sdf -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xmy_rol.sdf -rw-rw-r-- root/root 3890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xnn_hyq.sdf -rw-rw-r-- root/root 3131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xnx_ate.sdf -rw-rw-r-- root/root 3179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xoe_abx.sdf -rw-rw-r-- root/root 3203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xog_abw.sdf -rw-rw-r-- root/root 3629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xom_cio.sdf -rw-rw-r-- root/root 2903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xor_zar.sdf -rw-rw-r-- root/root 4707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xot_vdn.sdf -rw-rw-r-- root/root 3329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xow_r18.sdf -rw-rw-r-- root/root 4783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xp1_aih.sdf -rw-rw-r-- root/root 4636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xp9_aij.sdf -rw-rw-r-- root/root 3197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xpo_bcm.sdf -rw-rw-r-- root/root 3435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xpr_fb.sdf -rw-rw-r-- root/root 4270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xpu_fpd.sdf -rw-rw-r-- root/root 3766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xpz_4tz.sdf -rw-rw-r-- root/root 3906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xq0_4tr.sdf -rw-rw-r-- root/root 4767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xqc_aej.sdf -rw-rw-r-- root/root 3383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xqk_pmh.sdf -rw-rw-r-- root/root 2192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xqx_pcs.sdf -rw-rw-r-- root/root 1898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xr3_isz.sdf -rw-rw-r-- root/root 3962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xuc_pb3.sdf -rw-rw-r-- root/root 4207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xud_pb4.sdf -rw-rw-r-- root/root 3728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xuh_bao.sdf -rw-rw-r-- root/root 5510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xuo_la1.sdf -rw-rw-r-- root/root 3749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xur_pb5.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xvp_cid.sdf -rw-rw-r-- root/root 2531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xvp_f15.sdf -rw-rw-r-- root/root 4359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xws_bi1.sdf -rw-rw-r-- root/root 2657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xxp_ptr.sdf -rw-rw-r-- root/root 2330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xxs_ste.sdf -rw-rw-r-- root/root 2180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xyc_3mf.sdf -rw-rw-r-- root/root 1949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xym_glo.sdf -rw-rw-r-- root/root 7597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xz0_jh0.sdf -rw-rw-r-- root/root 4777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1xzq_fon.sdf -rw-rw-r-- root/root 4730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y0s_331.sdf -rw-rw-r-- root/root 3455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y0x_t44.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y1d_fhi.sdf -rw-rw-r-- root/root 2090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y2b_dee.sdf -rw-rw-r-- root/root 2807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y2c_3de.sdf -rw-rw-r-- root/root 3011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y2d_4de.sdf -rw-rw-r-- root/root 2907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y2e_5de.sdf -rw-rw-r-- root/root 4221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y2f_wai.sdf -rw-rw-r-- root/root 3720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y2g_cl3.sdf -rw-rw-r-- root/root 2910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y2h_6de.sdf -rw-rw-r-- root/root 3148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y2k_7de.sdf -rw-rw-r-- root/root 4869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y3u_uiq.sdf -rw-rw-r-- root/root 4884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y3v_uir.sdf -rw-rw-r-- root/root 4741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y3w_uip.sdf -rw-rw-r-- root/root 4719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y3x_uib.sdf -rw-rw-r-- root/root 4992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y57_mpz.sdf -rw-rw-r-- root/root 4096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y59_tl1.sdf -rw-rw-r-- root/root 4146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y5a_tl2.sdf -rw-rw-r-- root/root 4093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y5b_tl3.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y5v_ne8.sdf -rw-rw-r-- root/root 3547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y5w_nez.sdf -rw-rw-r-- root/root 3663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y5x_e89.sdf -rw-rw-r-- root/root 4290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y6a_aaz.sdf -rw-rw-r-- root/root 4697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y6b_aax.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y6o_mji.sdf -rw-rw-r-- root/root 3264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y6r_mtm.sdf -rw-rw-r-- root/root 2980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y8j_sts.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y91_ct9.sdf -rw-rw-r-- root/root 2663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1y9t_hhg.sdf -rw-rw-r-- root/root 3914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ya4_ctx.sdf -rw-rw-r-- root/root 1491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ya8_smb.sdf -rw-rw-r-- root/root 1333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yah_eee.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yb6_mnn.sdf -rw-rw-r-- root/root 1619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yb7_icn.sdf -rw-rw-r-- root/root 6136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ybg_tav.sdf -rw-rw-r-- root/root 3847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ybh_cie.sdf -rw-rw-r-- root/root 2928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ybq_bdh.sdf -rw-rw-r-- root/root 3882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yc1_4bc.sdf -rw-rw-r-- root/root 2694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ycl_kri.sdf -rw-rw-r-- root/root 3030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ydr_iqp.sdf -rw-rw-r-- root/root 2769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yds_iqs.sdf -rw-rw-r-- root/root 3829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ydt_iqb.sdf -rw-rw-r-- root/root 2120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yfw_4aa.sdf -rw-rw-r-- root/root 5115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ygc_905.sdf -rw-rw-r-- root/root 3968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ygj_rmc.sdf -rw-rw-r-- root/root 3691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ygk_rrc.sdf -rw-rw-r-- root/root 3809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yhj_r6c.sdf -rw-rw-r-- root/root 3731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yhy_1mm.sdf -rw-rw-r-- root/root 1939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yhy_p22.sdf -rw-rw-r-- root/root 3826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yi1_1tb.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yi3_ly2.sdf -rw-rw-r-- root/root 4578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yim_cm4.sdf -rw-rw-r-- root/root 4813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yin_cm3.sdf -rw-rw-r-- root/root 2331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yki_nfz.sdf -rw-rw-r-- root/root 4236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ykr_628.sdf -rw-rw-r-- root/root 6540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ymt_dr9.sdf -rw-rw-r-- root/root 10228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ynd_sfa.sdf -rw-rw-r-- root/root 2553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ynh_suo.sdf -rw-rw-r-- root/root 2897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yni_sug.sdf -rw-rw-r-- root/root 7314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ynj_srn.sdf -rw-rw-r-- root/root 2020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yns_hpo.sdf -rw-rw-r-- root/root 4453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yol_s03.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1you_pfd.sdf -rw-rw-r-- root/root 5918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yow_p0e.sdf -rw-rw-r-- root/root 4585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yp9_uiz.sdf -rw-rw-r-- root/root 3429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yqy_915.sdf -rw-rw-r-- root/root 3301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yrs_l47.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yry_msg.sdf -rw-rw-r-- root/root 3921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yvf_ph7.sdf -rw-rw-r-- root/root 4781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yvj_4st.sdf -rw-rw-r-- root/root 2325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yvm_tmg.sdf -rw-rw-r-- root/root 3820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yvx_ipc.sdf -rw-rw-r-- root/root 3952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yvz_jpc.sdf -rw-rw-r-- root/root 4317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yw2_pgj.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yw7_a41.sdf -rw-rw-r-- root/root 3395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yw8_a75.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yw9_a84.sdf -rw-rw-r-- root/root 5361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ywn_lif.sdf -rw-rw-r-- root/root 11708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yxq_swi.sdf -rw-rw-r-- root/root 2793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yxx_li7.sdf -rw-rw-r-- root/root 2874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yy4_4na.sdf -rw-rw-r-- root/root 3132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yye_196.sdf -rw-rw-r-- root/root 2534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yyt_saz.sdf -rw-rw-r-- root/root 2531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yyu_raz.sdf -rw-rw-r-- root/root 2109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yz3_ska.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1yzx_gsf.sdf -rw-rw-r-- root/root 2543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z11_8mo.sdf -rw-rw-r-- root/root 2075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z2l_1al.sdf -rw-rw-r-- root/root 3930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z2o_i4p.sdf -rw-rw-r-- root/root 3495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z2p_i3s.sdf -rw-rw-r-- root/root 3817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z3n_3na.sdf -rw-rw-r-- root/root 3335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z4j_u2p.sdf -rw-rw-r-- root/root 2622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z4o_gl1.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z4q_d4m.sdf -rw-rw-r-- root/root 4456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z4u_ph9.sdf -rw-rw-r-- root/root 5922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z4x_slt.sdf -rw-rw-r-- root/root 4829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z5m_li8.sdf -rw-rw-r-- root/root 3730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z62_iaa.sdf -rw-rw-r-- root/root 6364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z6j_py3.sdf -rw-rw-r-- root/root 2371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z6l_dre.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z6p_194.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z71_l17.sdf -rw-rw-r-- root/root 3202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z7j_t4a.sdf -rw-rw-r-- root/root 3545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z7y_aa5.sdf -rw-rw-r-- root/root 3164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z89_62p.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z8n_1iq.sdf -rw-rw-r-- root/root 3857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z8q_deb.sdf -rw-rw-r-- root/root 2715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1z9g_rrt.sdf -rw-rw-r-- root/root 2799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zab_urd.sdf -rw-rw-r-- root/root 2893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zaf_789.sdf -rw-rw-r-- root/root 2332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zd2_nc3.sdf -rw-rw-r-- root/root 2561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zd3_nc4.sdf -rw-rw-r-- root/root 2779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zd4_nc6.sdf -rw-rw-r-- root/root 2889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zd5_nc7.sdf -rw-rw-r-- root/root 2689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zdp_tio.sdf -rw-rw-r-- root/root 5934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zdt_pef.sdf -rw-rw-r-- root/root 7208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zdu_p3a.sdf -rw-rw-r-- root/root 2370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zed_pnp.sdf -rw-rw-r-- root/root 1557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zeh_crs.sdf -rw-rw-r-- root/root 4374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zeo_c01.sdf -rw-rw-r-- root/root 3470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zfk_nr2.sdf -rw-rw-r-- root/root 3066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zg3_2hi.sdf -rw-rw-r-- root/root 2721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zg7_p20.sdf -rw-rw-r-- root/root 2636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zg8_l98.sdf -rw-rw-r-- root/root 2224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zg9_l06.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zga_hmk.sdf -rw-rw-r-- root/root 5186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zgb_a1e.sdf -rw-rw-r-- root/root 5185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zgc_a2e.sdf -rw-rw-r-- root/root 4651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zgi_382.sdf -rw-rw-r-- root/root 3374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zgj_p1s.sdf -rw-rw-r-- root/root 3540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zgv_501.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zh0_nal.sdf -rw-rw-r-- root/root 2438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zh6_4af.sdf -rw-rw-r-- root/root 2292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zha_r5p.sdf -rw-rw-r-- root/root 4199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zht_hcr.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zi5_dr3.sdf -rw-rw-r-- root/root 5111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zj3_dr2.sdf -rw-rw-r-- root/root 3461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zjp_dr4.sdf -rw-rw-r-- root/root 4086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zly_dqb.sdf -rw-rw-r-- root/root 2380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zly_grf.sdf -rw-rw-r-- root/root 1332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1znd_pe9.sdf -rw-rw-r-- root/root 1437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zne_he2.sdf -rw-rw-r-- root/root 1545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zng_he4.sdf -rw-rw-r-- root/root 1649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1znh_oc9.sdf -rw-rw-r-- root/root 1752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1znk_f09.sdf -rw-rw-r-- root/root 1868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1znl_de1.sdf -rw-rw-r-- root/root 3583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zo9_epm.sdf -rw-rw-r-- root/root 2624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zoe_k25.sdf -rw-rw-r-- root/root 2496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zog_k37.sdf -rw-rw-r-- root/root 2788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zoh_k44.sdf -rw-rw-r-- root/root 3773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zot_ema.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zp5_2ni.sdf -rw-rw-r-- root/root 3816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zpd_dpx.sdf -rw-rw-r-- root/root 2285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zpl_mag.sdf -rw-rw-r-- root/root 4217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zq5_e04.sdf -rw-rw-r-- root/root 3291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zr8_ajm.sdf -rw-rw-r-- root/root 4907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zrb_062.sdf -rw-rw-r-- root/root 3784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zrk_367.sdf -rw-rw-r-- root/root 3726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zs0_ein.sdf -rw-rw-r-- root/root 3548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zsj_709.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zsk_421.sdf -rw-rw-r-- root/root 4774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1ztq_033.sdf -rw-rw-r-- root/root 3417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zua_tol.sdf -rw-rw-r-- root/root 3206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zuc_t98.sdf -rw-rw-r-- root/root 3725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zvx_fin.sdf -rw-rw-r-- root/root 2233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zwh_rde.sdf -rw-rw-r-- root/root 3748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zxc_ih6.sdf -rw-rw-r-- root/root 3690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zxv_mfm.sdf -rw-rw-r-- root/root 4093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zyq_dad.sdf -rw-rw-r-- root/root 4343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zys_199.sdf -rw-rw-r-- root/root 3882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zyx_lcf.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zz2_b11.sdf -rw-rw-r-- root/root 1962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/1zz3_3yp.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a0c_ck9.sdf -rw-rw-r-- root/root 3413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a2r_gsn.sdf -rw-rw-r-- root/root 1624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a31_pg3.sdf -rw-rw-r-- root/root 2996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a3c_pnx.sdf -rw-rw-r-- root/root 4435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a3x_cpk.sdf -rw-rw-r-- root/root 4202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a3y_cpj.sdf -rw-rw-r-- root/root 6643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a4r_bnh.sdf -rw-rw-r-- root/root 2980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a4z_bym.sdf -rw-rw-r-- root/root 3072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a5b_8hg.sdf -rw-rw-r-- root/root 2947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a5c_8da.sdf -rw-rw-r-- root/root 2866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a5u_qyt.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a7p_3il.sdf -rw-rw-r-- root/root 3128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a7q_cfb.sdf -rw-rw-r-- root/root 1923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a85_hoc.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a8h_4nh.sdf -rw-rw-r-- root/root 3582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a8u_dr5.sdf -rw-rw-r-- root/root 4270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a9w_ga9.sdf -rw-rw-r-- root/root 3163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2a9y_26a.sdf -rw-rw-r-- root/root 3866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aa2_as4.sdf -rw-rw-r-- root/root 5954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aa3_ap0.sdf -rw-rw-r-- root/root 3861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aaq_aup.sdf -rw-rw-r-- root/root 4272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ab2_snl.sdf -rw-rw-r-- root/root 3176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ab6_gsm.sdf -rw-rw-r-- root/root 3151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ab8_mtp.sdf -rw-rw-r-- root/root 3630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2abi_1ca.sdf -rw-rw-r-- root/root 3853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2abj_cbc.sdf -rw-rw-r-- root/root 4026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2acl_l05.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ada_hpr.sdf -rw-rw-r-- root/root 2080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2adu_r20.sdf -rw-rw-r-- root/root 5259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aei_03r.sdf -rw-rw-r-- root/root 2200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2af9_dao.sdf -rw-rw-r-- root/root 2300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2afu_bgt.sdf -rw-rw-r-- root/root 2063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2afx_1bn.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ag2_ch5.sdf -rw-rw-r-- root/root 4663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ag2_lp3.sdf -rw-rw-r-- root/root 2222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ag6_4bf.sdf -rw-rw-r-- root/root 4451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2agd_udh.sdf -rw-rw-r-- root/root 2524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2agv_bhq.sdf -rw-rw-r-- root/root 2086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2agw_tss.sdf -rw-rw-r-- root/root 4042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ahg_ucd.sdf -rw-rw-r-- root/root 3966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ai1_p1g.sdf -rw-rw-r-- root/root 3905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ai2_p1d.sdf -rw-rw-r-- root/root 3846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ai3_p2g.sdf -rw-rw-r-- root/root 2187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ai8_sb7.sdf -rw-rw-r-- root/root 3098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aia_sb8.sdf -rw-rw-r-- root/root 2324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aie_sb9.sdf -rw-rw-r-- root/root 4256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aio_mx1.sdf -rw-rw-r-- root/root 1865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2air_al0.sdf -rw-rw-r-- root/root 2652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aix_u1k.sdf -rw-rw-r-- root/root 3748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aj8_sc3.sdf -rw-rw-r-- root/root 2201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2akw_200.sdf -rw-rw-r-- root/root 2520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2al5_fwd.sdf -rw-rw-r-- root/root 2027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2alw_mnm.sdf -rw-rw-r-- root/root 3469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2amb_17h.sdf -rw-rw-r-- root/root 2235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2an3_ctl.sdf -rw-rw-r-- root/root 1972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2an4_otr.sdf -rw-rw-r-- root/root 2249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2an5_ttl.sdf -rw-rw-r-- root/root 4751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ank_n12.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2anm_cdo.sdf -rw-rw-r-- root/root 2877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ano_817.sdf -rw-rw-r-- root/root 3660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2anq_c1a.sdf -rw-rw-r-- root/root 7193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aob_s1s.sdf -rw-rw-r-- root/root 2891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aot_2pm.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aou_cqa.sdf -rw-rw-r-- root/root 2020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aov_4di.sdf -rw-rw-r-- root/root 2701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aov_c2m.sdf -rw-rw-r-- root/root 2411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aow_tha.sdf -rw-rw-r-- root/root 2502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aq7_tl5.sdf -rw-rw-r-- root/root 2258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aqb_tl6.sdf -rw-rw-r-- root/root 8808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2asm_rga.sdf -rw-rw-r-- root/root 8909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2aso_spx.sdf -rw-rw-r-- root/root 8273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2asp_rgc.sdf -rw-rw-r-- root/root 4652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ath_3ea.sdf -rw-rw-r-- root/root 3426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ati_ihu.sdf -rw-rw-r-- root/root 1884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ato_myq.sdf -rw-rw-r-- root/root 2889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2awh_vca.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ax7_fhm.sdf -rw-rw-r-- root/root 3199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ax9_bhm.sdf -rw-rw-r-- root/root 2053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ay1_ahc.sdf -rw-rw-r-- root/root 1924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ay2_cxp.sdf -rw-rw-r-- root/root 2392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ay3_mpp.sdf -rw-rw-r-- root/root 2049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ay4_ppt.sdf -rw-rw-r-- root/root 2403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ay6_3ib.sdf -rw-rw-r-- root/root 1939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ay7_clt.sdf -rw-rw-r-- root/root 1935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ay8_4tb.sdf -rw-rw-r-- root/root 2142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ay9_5pv.sdf -rw-rw-r-- root/root 3650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ayp_43a.sdf -rw-rw-r-- root/root 5266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ayw_ono.sdf -rw-rw-r-- root/root 5379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2az5_307.sdf -rw-rw-r-- root/root 2686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2azr_982.sdf -rw-rw-r-- root/root 4900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2azz_tch.sdf -rw-rw-r-- root/root 4670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b00_gch.sdf -rw-rw-r-- root/root 4889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b03_tud.sdf -rw-rw-r-- root/root 5051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b07_598.sdf -rw-rw-r-- root/root 3474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b0m_201.sdf -rw-rw-r-- root/root 5761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b0q_nmy.sdf -rw-rw-r-- root/root 3311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b1g_13a.sdf -rw-rw-r-- root/root 3793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b1i_93a.sdf -rw-rw-r-- root/root 4788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b1p_aiz.sdf -rw-rw-r-- root/root 3141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b37_8ps.sdf -rw-rw-r-- root/root 2275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b4b_b33.sdf -rw-rw-r-- root/root 4396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b52_d42.sdf -rw-rw-r-- root/root 3713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b53_d23.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b54_d05.sdf -rw-rw-r-- root/root 4385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b55_d31.sdf -rw-rw-r-- root/root 3819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b6a_t50.sdf -rw-rw-r-- root/root 2765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b77_3ca.sdf -rw-rw-r-- root/root 5300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b7d_c1b.sdf -rw-rw-r-- root/root 2006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b7p_pht.sdf -rw-rw-r-- root/root 3727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b8o_0gj.sdf -rw-rw-r-- root/root 3382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2b99_rdl.sdf -rw-rw-r-- root/root 3816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2baj_1pp.sdf -rw-rw-r-- root/root 3964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bal_pqa.sdf -rw-rw-r-- root/root 3511 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ban_357.sdf -rw-rw-r-- root/root 2401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bb7_qms.sdf -rw-rw-r-- root/root 2466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bbf_344.sdf -rw-rw-r-- root/root 4610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bdf_24a.sdf -rw-rw-r-- root/root 4681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bdj_het.sdf -rw-rw-r-- root/root 3463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bdm_tmi.sdf -rw-rw-r-- root/root 4894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bdy_unb.sdf -rw-rw-r-- root/root 3756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2be2_r22.sdf -rw-rw-r-- root/root 4401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bed_736.sdf -rw-rw-r-- root/root 5524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bel_cbo.sdf -rw-rw-r-- root/root 2182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bet_dez.sdf -rw-rw-r-- root/root 4473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bev_thy.sdf -rw-rw-r-- root/root 4681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bew_thw.sdf -rw-rw-r-- root/root 3953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bfc_tzd.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bgd_t1d.sdf -rw-rw-r-- root/root 2321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bge_t2d.sdf -rw-rw-r-- root/root 4393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bhh_ryu.sdf -rw-rw-r-- root/root 3872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bhi_c10.sdf -rw-rw-r-- root/root 7680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bhi_sft.sdf -rw-rw-r-- root/root 2731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bhj_fc1.sdf -rw-rw-r-- root/root 5619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bhw_lux.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2biw_3on.sdf -rw-rw-r-- root/root 2364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bjm_anf.sdf -rw-rw-r-- root/root 5738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bju_ih4.sdf -rw-rw-r-- root/root 5252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bkt_rpf.sdf -rw-rw-r-- root/root 4632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bl2_umq.sdf -rw-rw-r-- root/root 2531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2blc_cp7.sdf -rw-rw-r-- root/root 4258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bm2_pm2.sdf -rw-rw-r-- root/root 5047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bmc_mpy.sdf -rw-rw-r-- root/root 4772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bmg_i1h.sdf -rw-rw-r-- root/root 3630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bml_xed.sdf -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bok_784.sdf -rw-rw-r-- root/root 5088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bq6_iib.sdf -rw-rw-r-- root/root 4267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bq7_iid.sdf -rw-rw-r-- root/root 5703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bqv_a1a.sdf -rw-rw-r-- root/root 4454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bqw_iie.sdf -rw-rw-r-- root/root 4062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2br1_pfp.sdf -rw-rw-r-- root/root 1510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2br6_hsl.sdf -rw-rw-r-- root/root 3591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2brb_pfq.sdf -rw-rw-r-- root/root 3621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bre_kj2.sdf -rw-rw-r-- root/root 3696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2brg_dfy.sdf -rw-rw-r-- root/root 3702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2brh_dfw.sdf -rw-rw-r-- root/root 3600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2brm_dfz.sdf -rw-rw-r-- root/root 3755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2brn_df1.sdf -rw-rw-r-- root/root 3900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bro_df2.sdf -rw-rw-r-- root/root 4694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2brp_sie.sdf -rw-rw-r-- root/root 3871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bsm_bsm.sdf -rw-rw-r-- root/root 3784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bt0_ct5.sdf -rw-rw-r-- root/root 3372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bt4_ca2.sdf -rw-rw-r-- root/root 3908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bu2_tf1.sdf -rw-rw-r-- root/root 4082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bu6_tf2.sdf -rw-rw-r-- root/root 3598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bu7_tf3.sdf -rw-rw-r-- root/root 4235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bu9_hfv.sdf -rw-rw-r-- root/root 2223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bua_007.sdf -rw-rw-r-- root/root 3991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bub_fpb.sdf -rw-rw-r-- root/root 3793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2buc_008.sdf -rw-rw-r-- root/root 1807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2buw_phb.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bv7_gm3.sdf -rw-rw-r-- root/root 3193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bvd_isx.sdf -rw-rw-r-- root/root 4070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bve_ph5.sdf -rw-rw-r-- root/root 6200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bvn_enx.sdf -rw-rw-r-- root/root 3871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bvr_4cp.sdf -rw-rw-r-- root/root 5037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bvs_2ce.sdf -rw-rw-r-- root/root 4537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bvx_5cb.sdf -rw-rw-r-- root/root 2642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bxa_c1f.sdf -rw-rw-r-- root/root 3023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bxf_dzp.sdf -rw-rw-r-- root/root 2285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bxh_ios.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bxi_azq.sdf -rw-rw-r-- root/root 2088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bxl_diu.sdf -rw-rw-r-- root/root 4675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bxn_idb.sdf -rw-rw-r-- root/root 2304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bxn_myr.sdf -rw-rw-r-- root/root 4429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bxt_c2d.sdf -rw-rw-r-- root/root 4435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bxu_c1d.sdf -rw-rw-r-- root/root 4099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bxv_3ft.sdf -rw-rw-r-- root/root 8041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2by4_ad4.sdf -rw-rw-r-- root/root 3733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2byh_2d7.sdf -rw-rw-r-- root/root 4071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2byi_2dd.sdf -rw-rw-r-- root/root 4176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bz5_ab4.sdf -rw-rw-r-- root/root 4370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2bz6_346.sdf -rw-rw-r-- root/root 5909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c0i_l1g.sdf -rw-rw-r-- root/root 6131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c0o_l2g.sdf -rw-rw-r-- root/root 5771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c0t_l3g.sdf -rw-rw-r-- root/root 2208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c12_spm.sdf -rw-rw-r-- root/root 3941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c1a_i5s.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c1b_cqp.sdf -rw-rw-r-- root/root 5016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c1z_u2f.sdf -rw-rw-r-- root/root 3679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c2s_34b.sdf -rw-rw-r-- root/root 2958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c2w_5cd.sdf -rw-rw-r-- root/root 1494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c3c_com.sdf -rw-rw-r-- root/root 3454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c3i_iyz.sdf -rw-rw-r-- root/root 3849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c3k_abo.sdf -rw-rw-r-- root/root 4655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c3p_1tp.sdf -rw-rw-r-- root/root 3709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c3q_gtx.sdf -rw-rw-r-- root/root 3957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c3u_2tp.sdf -rw-rw-r-- root/root 5577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c4f_gil.sdf -rw-rw-r-- root/root 4106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c4j_gso.sdf -rw-rw-r-- root/root 3952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c4t_sa8.sdf -rw-rw-r-- root/root 3554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c4w_gaj.sdf -rw-rw-r-- root/root 1888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c58_at3.sdf -rw-rw-r-- root/root 3151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c6c_24i.sdf -rw-rw-r-- root/root 5287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c6e_hpm.sdf -rw-rw-r-- root/root 3982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c6i_dt1.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c6k_dt2.sdf -rw-rw-r-- root/root 4015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c6l_dt4.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c92_tp6.sdf -rw-rw-r-- root/root 4446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c94_tsf.sdf -rw-rw-r-- root/root 2803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c97_jcl.sdf -rw-rw-r-- root/root 3174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c9b_pug.sdf -rw-rw-r-- root/root 4416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2c9d_phr.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cbo_th2.sdf -rw-rw-r-- root/root 3729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cbr_a80.sdf -rw-rw-r-- root/root 3643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cbs_r13.sdf -rw-rw-r-- root/root 2184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cbv_cgb.sdf -rw-rw-r-- root/root 2820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cc2_5ad.sdf -rw-rw-r-- root/root 2805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cc7_lum.sdf -rw-rw-r-- root/root 2911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ccc_lfn.sdf -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cct_2e1.sdf -rw-rw-r-- root/root 4346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ccu_2d9.sdf -rw-rw-r-- root/root 3894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cdz_23d.sdf -rw-rw-r-- root/root 5970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cej_1ah.sdf -rw-rw-r-- root/root 5219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cek_n8t.sdf -rw-rw-r-- root/root 2490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ceq_gim.sdf -rw-rw-r-- root/root 3408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cer_pgi.sdf -rw-rw-r-- root/root 4629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cf8_esh.sdf -rw-rw-r-- root/root 4721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cf9_348.sdf -rw-rw-r-- root/root 2413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cfi_zzz.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cgf_p2n.sdf -rw-rw-r-- root/root 1575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cgo_fum.sdf -rw-rw-r-- root/root 3595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cgu_3a3.sdf -rw-rw-r-- root/root 4667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2chm_3p4.sdf -rw-rw-r-- root/root 2474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2chn_ngt.sdf -rw-rw-r-- root/root 4332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2chw_039.sdf -rw-rw-r-- root/root 3850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2chx_090.sdf -rw-rw-r-- root/root 3649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2chz_093.sdf -rw-rw-r-- root/root 2773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ci0_1cm.sdf -rw-rw-r-- root/root 1629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ci5_hcs.sdf -rw-rw-r-- root/root 4091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cib_cm6.sdf -rw-rw-r-- root/root 3666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cjf_rp4.sdf -rw-rw-r-- root/root 4379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cji_gsk.sdf -rw-rw-r-- root/root 2648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cke_iqu.sdf -rw-rw-r-- root/root 4970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ckm_aa7.sdf -rw-rw-r-- root/root 2893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cl5_bie.sdf -rw-rw-r-- root/root 3122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2clo_f19.sdf -rw-rw-r-- root/root 4640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cm7_izd.sdf -rw-rw-r-- root/root 2443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cm8_f16.sdf -rw-rw-r-- root/root 5312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cma_f20.sdf -rw-rw-r-- root/root 6407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cmb_f17.sdf -rw-rw-r-- root/root 4602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cmc_dfm.sdf -rw-rw-r-- root/root 4752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cmf_f11.sdf -rw-rw-r-- root/root 4591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cn0_f25.sdf -rw-rw-r-- root/root 2829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cn8_dbq.sdf -rw-rw-r-- root/root 6113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cne_dfj.sdf -rw-rw-r-- root/root 4892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cnf_f32.sdf -rw-rw-r-- root/root 4999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cng_ize.sdf -rw-rw-r-- root/root 5491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cnh_izb.sdf -rw-rw-r-- root/root 6216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cni_izf.sdf -rw-rw-r-- root/root 4386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cnv_sss.sdf -rw-rw-r-- root/root 2080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2coj_gbn.sdf -rw-rw-r-- root/root 2780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2csn_cki.sdf -rw-rw-r-- root/root 3936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cvd_hql.sdf -rw-rw-r-- root/root 2300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cxp_a5p.sdf -rw-rw-r-- root/root 2577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cxq_s6p.sdf -rw-rw-r-- root/root 3453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2cy6_tre.sdf -rw-rw-r-- root/root 2195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2d0e_nq.sdf -rw-rw-r-- root/root 4476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2d1j_d01.sdf -rw-rw-r-- root/root 4548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2d1o_fa4.sdf -rw-rw-r-- root/root 2599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2d1r_olu.sdf -rw-rw-r-- root/root 1527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2d2g_dzz.sdf -rw-rw-r-- root/root 1554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2d2h_tzz.sdf -rw-rw-r-- root/root 2438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2d3a_p3s.sdf -rw-rw-r-- root/root 3835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2d3u_cct.sdf -rw-rw-r-- root/root 3792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2d3z_fih.sdf -rw-rw-r-- root/root 3964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2d41_snh.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2d60_l35.sdf -rw-rw-r-- root/root 2181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2dap_api.sdf -rw-rw-r-- root/root 2819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2dcm_ga0.sdf -rw-rw-r-- root/root 2575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2de3_obp.sdf -rw-rw-r-- root/root 2431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2de4_bps.sdf -rw-rw-r-- root/root 3148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2dio_eod.sdf -rw-rw-r-- root/root 2931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2dkc_16g.sdf -rw-rw-r-- root/root 2944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2dkd_ng1.sdf -rw-rw-r-- root/root 2343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2dln_phy.sdf -rw-rw-r-- root/root 1784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2dm5_odi.sdf -rw-rw-r-- root/root 3901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2doo_c4h.sdf -rw-rw-r-- root/root 4111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2dq0_ssa.sdf -rw-rw-r-- root/root 4398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ds1_1cd.sdf -rw-rw-r-- root/root 1371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2dua_oxl.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2duv_371.sdf -rw-rw-r-- root/root 3588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2dwd_l2c.sdf -rw-rw-r-- root/root 3115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2dy5_224.sdf -rw-rw-r-- root/root 3458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2dyx_lak.sdf -rw-rw-r-- root/root 1848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e1s_ara.sdf -rw-rw-r-- root/root 3541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e1w_fr6.sdf -rw-rw-r-- root/root 5671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e2b_406.sdf -rw-rw-r-- root/root 2659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e2r_2oh.sdf -rw-rw-r-- root/root 3990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e3n_6cm.sdf -rw-rw-r-- root/root 5074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e3p_16c.sdf -rw-rw-r-- root/root 5283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e3q_18c.sdf -rw-rw-r-- root/root 1506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e49_mh6.sdf -rw-rw-r-- root/root 2467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e4v_2cg.sdf -rw-rw-r-- root/root 2132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e4w_c5a.sdf -rw-rw-r-- root/root 2133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e4x_c5b.sdf -rw-rw-r-- root/root 2137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e4y_52a.sdf -rw-rw-r-- root/root 1947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e6f_oxc.sdf -rw-rw-r-- root/root 2327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e82_im3.sdf -rw-rw-r-- root/root 3225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e92_m0n.sdf -rw-rw-r-- root/root 4151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e94_364.sdf -rw-rw-r-- root/root 4274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e98_b29.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e99_b08.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e9a_b28.sdf -rw-rw-r-- root/root 2227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e9c_b75.sdf -rw-rw-r-- root/root 4172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e9d_b76.sdf -rw-rw-r-- root/root 4964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e9n_76a.sdf -rw-rw-r-- root/root 4268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e9o_a58.sdf -rw-rw-r-- root/root 3743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e9p_77a.sdf -rw-rw-r-- root/root 3569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e9u_a25.sdf -rw-rw-r-- root/root 4780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2e9v_85a.sdf -rw-rw-r-- root/root 3412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ea2_f77.sdf -rw-rw-r-- root/root 3696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ea4_f79.sdf -rw-rw-r-- root/root 4775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ec9_24x.sdf -rw-rw-r-- root/root 3175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2eep_aio.sdf -rw-rw-r-- root/root 2416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ef6_mdm.sdf -rw-rw-r-- root/root 2249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2eg7_otd.sdf -rw-rw-r-- root/root 2064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ei1_d1n.sdf -rw-rw-r-- root/root 1934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ei3_bpy.sdf -rw-rw-r-- root/root 4722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ei6_d92.sdf -rw-rw-r-- root/root 4629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2el9_hss.sdf -rw-rw-r-- root/root 3146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2erz_hfs.sdf -rw-rw-r-- root/root 3045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2esm_m77.sdf -rw-rw-r-- root/root 4271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2est_2z5.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2etm_7py.sdf -rw-rw-r-- root/root 2831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2etr_y27.sdf -rw-rw-r-- root/root 4614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2euf_lqq.sdf -rw-rw-r-- root/root 2749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2evc_fc3.sdf -rw-rw-r-- root/root 1741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2evd_d10.sdf -rw-rw-r-- root/root 2524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2evm_fc2.sdf -rw-rw-r-- root/root 2551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2evo_ct0.sdf -rw-rw-r-- root/root 3231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ewb_zed.sdf -rw-rw-r-- root/root 4282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ewp_txf.sdf -rw-rw-r-- root/root 5151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ewy_dbo.sdf -rw-rw-r-- root/root 4427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2exc_jnk.sdf -rw-rw-r-- root/root 4608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ez8_tdl.sdf -rw-rw-r-- root/root 4234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ezt_tdm.sdf -rw-rw-r-- root/root 4808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f0y_3mn.sdf -rw-rw-r-- root/root 2987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f11_iem.sdf -rw-rw-r-- root/root 3001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f12_htm.sdf -rw-rw-r-- root/root 3139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f13_dym.sdf -rw-rw-r-- root/root 3951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f17_pyi.sdf -rw-rw-r-- root/root 2860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f18_gb1.sdf -rw-rw-r-- root/root 2861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f1a_gb2.sdf -rw-rw-r-- root/root 3008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f1b_gb3.sdf -rw-rw-r-- root/root 4450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f1g_gnf.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f2c_ap9.sdf -rw-rw-r-- root/root 4345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f2h_xtg.sdf -rw-rw-r-- root/root 3972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f2k_tgg.sdf -rw-rw-r-- root/root 3548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f34_uba.sdf -rw-rw-r-- root/root 3499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f35_ubc.sdf -rw-rw-r-- root/root 4286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f38_15m.sdf -rw-rw-r-- root/root 3420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f3d_amp.sdf -rw-rw-r-- root/root 5264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f4b_eha.sdf -rw-rw-r-- root/root 4654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f4j_vx6.sdf -rw-rw-r-- root/root 3771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f6t_1c2.sdf -rw-rw-r-- root/root 4099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f6v_sk2.sdf -rw-rw-r-- root/root 2703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f6w_un3.sdf -rw-rw-r-- root/root 4701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f6z_un5.sdf -rw-rw-r-- root/root 3929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f70_un6.sdf -rw-rw-r-- root/root 4475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f71_un7.sdf -rw-rw-r-- root/root 4207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f7e_2ea.sdf -rw-rw-r-- root/root 2058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f7o_msn.sdf -rw-rw-r-- root/root 2859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f7p_2sk.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f7q_aol.sdf -rw-rw-r-- root/root 2703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f7r_sk3.sdf -rw-rw-r-- root/root 3996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f7x_4ea.sdf -rw-rw-r-- root/root 4227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f7z_6ea.sdf -rw-rw-r-- root/root 3032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f8i_205.sdf -rw-rw-r-- root/root 2376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f92_ahd.sdf -rw-rw-r-- root/root 2911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f94_bfq.sdf -rw-rw-r-- root/root 3966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f98_ngv.sdf -rw-rw-r-- root/root 4223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f99_akv.sdf -rw-rw-r-- root/root 4249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2f9b_n1h.sdf -rw-rw-r-- root/root 4454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2faf_20s.sdf -rw-rw-r-- root/root 4721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fb8_215.sdf -rw-rw-r-- root/root 4931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fbr_44c.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fdc_flq.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fdu_d1g.sdf -rw-rw-r-- root/root 2328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fdv_d2g.sdf -rw-rw-r-- root/root 2201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fdw_d3g.sdf -rw-rw-r-- root/root 2268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fdy_d4g.sdf -rw-rw-r-- root/root 2407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fg6_sn0.sdf -rw-rw-r-- root/root 5074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fgi_pd1.sdf -rw-rw-r-- root/root 3256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fhy_a37.sdf -rw-rw-r-- root/root 4304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fie_a74.sdf -rw-rw-r-- root/root 2745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fim_3dp.sdf -rw-rw-r-- root/root 4188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fix_870.sdf -rw-rw-r-- root/root 5740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fjm_073.sdf -rw-rw-r-- root/root 4448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fjp_s14.sdf -rw-rw-r-- root/root 4125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fky_n2t.sdf -rw-rw-r-- root/root 3819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fl2_n4t.sdf -rw-rw-r-- root/root 3528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fl6_n5t.sdf -rw-rw-r-- root/root 3535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2flb_6nh.sdf -rw-rw-r-- root/root 5146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2flm_6ca.sdf -rw-rw-r-- root/root 3845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2flr_7nh.sdf -rw-rw-r-- root/root 5363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fm0_m98.sdf -rw-rw-r-- root/root 5361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fm5_m99.sdf -rw-rw-r-- root/root 7549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fmb_lp1.sdf -rw-rw-r-- root/root 3534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fme_3qc.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fmn_4hf.sdf -rw-rw-r-- root/root 3640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2foy_b30.sdf -rw-rw-r-- root/root 3989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fpc_scg.sdf -rw-rw-r-- root/root 4210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fpt_ilb.sdf -rw-rw-r-- root/root 3728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fpv_ilc.sdf -rw-rw-r-- root/root 4188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fpy_ilf.sdf -rw-rw-r-- root/root 1841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fpz_270.sdf -rw-rw-r-- root/root 4594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fq6_p3f.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fqi_ilh.sdf -rw-rw-r-- root/root 2732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fqo_hyi.sdf -rw-rw-r-- root/root 2735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fqt_h1d.sdf -rw-rw-r-- root/root 2820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fr5_tyu.sdf -rw-rw-r-- root/root 3973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fsz_oht.sdf -rw-rw-r-- root/root 3168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fu9_mp2.sdf -rw-rw-r-- root/root 4880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fut_h1s.sdf -rw-rw-r-- root/root 4471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fv5_541.sdf -rw-rw-r-- root/root 4431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fv9_002.sdf -rw-rw-r-- root/root 4107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fvc_888.sdf -rw-rw-r-- root/root 4230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fvd_lia.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fwy_h64.sdf -rw-rw-r-- root/root 6870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fxe_dr7.sdf -rw-rw-r-- root/root 1968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fxl_2al.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fxs_rda.sdf -rw-rw-r-- root/root 6796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fxu_bid.sdf -rw-rw-r-- root/root 3233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fyv_w72.sdf -rw-rw-r-- root/root 2880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fzc_eop.sdf -rw-rw-r-- root/root 3346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fzg_eob.sdf -rw-rw-r-- root/root 3809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fzi_dh3.sdf -rw-rw-r-- root/root 3555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2fzk_eoz.sdf -rw-rw-r-- root/root 2825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g01_73q.sdf -rw-rw-r-- root/root 3958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g0e_cgq.sdf -rw-rw-r-- root/root 3958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g0g_sp0.sdf -rw-rw-r-- root/root 4751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g0h_sp3.sdf -rw-rw-r-- root/root 2795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g1a_5hg.sdf -rw-rw-r-- root/root 2900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g1m_4hg.sdf -rw-rw-r-- root/root 4123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g1n_1ig.sdf -rw-rw-r-- root/root 3945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g1o_2ig.sdf -rw-rw-r-- root/root 3997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g1q_n9h.sdf -rw-rw-r-- root/root 4114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g1r_3ig.sdf -rw-rw-r-- root/root 4693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g1s_4ig.sdf -rw-rw-r-- root/root 3975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g1y_5ig.sdf -rw-rw-r-- root/root 6425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g20_l1a.sdf -rw-rw-r-- root/root 3620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g21_l1b.sdf -rw-rw-r-- root/root 4557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g22_6ig.sdf -rw-rw-r-- root/root 3707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g24_7ig.sdf -rw-rw-r-- root/root 5681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g27_4lg.sdf -rw-rw-r-- root/root 4887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g28_tdk.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g2h_p16.sdf -rw-rw-r-- root/root 2896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g5n_23m.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g5v_22m.sdf -rw-rw-r-- root/root 3364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g6p_hm2.sdf -rw-rw-r-- root/root 2565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g70_hnt.sdf -rw-rw-r-- root/root 3903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g70_sam.sdf -rw-rw-r-- root/root 3389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g71_fts.sdf -rw-rw-r-- root/root 3224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g78_rea.sdf -rw-rw-r-- root/root 1931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g7m_an0.sdf -rw-rw-r-- root/root 4334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g7y_mo9.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g8n_f83.sdf -rw-rw-r-- root/root 3766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g8r_n3e.sdf -rw-rw-r-- root/root 2894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g8t_mi2.sdf -rw-rw-r-- root/root 1639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g8x_dtt.sdf -rw-rw-r-- root/root 4094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g97_dgb.sdf -rw-rw-r-- root/root 4647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2g9x_nu5.sdf -rw-rw-r-- root/root 3117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ga2_a19.sdf -rw-rw-r-- root/root 4129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gbi_xih.sdf -rw-rw-r-- root/root 2561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gc0_pan.sdf -rw-rw-r-- root/root 2572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gc3_m6p.sdf -rw-rw-r-- root/root 3128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gc8_885.sdf -rw-rw-r-- root/root 3802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gcq_doi.sdf -rw-rw-r-- root/root 4311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gd8_po1.sdf -rw-rw-r-- root/root 4295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gdo_12c.sdf -rw-rw-r-- root/root 7003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2get_cok.sdf -rw-rw-r-- root/root 3328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gfj_vi.sdf -rw-rw-r-- root/root 3352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gfk_vii.sdf -rw-rw-r-- root/root 4362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gfx_pmn.sdf -rw-rw-r-- root/root 3997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gg0_u11.sdf -rw-rw-r-- root/root 2896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gg2_u12.sdf -rw-rw-r-- root/root 2560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gg3_u13.sdf -rw-rw-r-- root/root 2900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gg5_u19.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gg7_u14.sdf -rw-rw-r-- root/root 4105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gg8_u15.sdf -rw-rw-r-- root/root 4342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gg9_u16.sdf -rw-rw-r-- root/root 3822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ggb_u17.sdf -rw-rw-r-- root/root 4560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ggx_npj.sdf -rw-rw-r-- root/root 3063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gh6_cf3.sdf -rw-rw-r-- root/root 4984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ghg_a53.sdf -rw-rw-r-- root/root 4501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ghl_lib.sdf -rw-rw-r-- root/root 4626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ghm_lic.sdf -rw-rw-r-- root/root 4282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2giq_nn2.sdf -rw-rw-r-- root/root 3870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gir_nn3.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2giu_fbr.sdf -rw-rw-r-- root/root 3386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gj4_2th.sdf -rw-rw-r-- root/root 4603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2glm_scb.sdf -rw-rw-r-- root/root 3170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2glp_bde.sdf -rw-rw-r-- root/root 5000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gm1_2az.sdf -rw-rw-r-- root/root 3483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gm9_3th.sdf -rw-rw-r-- root/root 2707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gms_p0p.sdf -rw-rw-r-- root/root 5383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gmv_un8.sdf -rw-rw-r-- root/root 3825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gmx_877.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gnh_h52.sdf -rw-rw-r-- root/root 4180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2go4_tux.sdf -rw-rw-r-- root/root 3102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gpp_1ba.sdf -rw-rw-r-- root/root 4468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gqn_blp.sdf -rw-rw-r-- root/root 1927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gqx_5cl.sdf -rw-rw-r-- root/root 2705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gru_cak.sdf -rw-rw-r-- root/root 2019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gru_exo.sdf -rw-rw-r-- root/root 6222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2grx_fci.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gsq_gbi.sdf -rw-rw-r-- root/root 4862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gst_gps.sdf -rw-rw-r-- root/root 6073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gtb_azp.sdf -rw-rw-r-- root/root 3093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gte_va.sdf -rw-rw-r-- root/root 4357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gtk_208.sdf -rw-rw-r-- root/root 4011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gtm_lid.sdf -rw-rw-r-- root/root 4044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gtn_lie.sdf -rw-rw-r-- root/root 1870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gu5_nlp.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gu8_796.sdf -rw-rw-r-- root/root 5261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gv6_730.sdf -rw-rw-r-- root/root 6418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gv7_672.sdf -rw-rw-r-- root/root 6254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gvd_128.sdf -rw-rw-r-- root/root 2434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gvv_di9.sdf -rw-rw-r-- root/root 5585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gvz_ona.sdf -rw-rw-r-- root/root 2297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gwc_bsc.sdf -rw-rw-r-- root/root 1856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gyi_hya.sdf -rw-rw-r-- root/root 3178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gyw_obi.sdf -rw-rw-r-- root/root 4045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gz7_d3f.sdf -rw-rw-r-- root/root 3642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2gz8_f3f.sdf -rw-rw-r-- root/root 3910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h02_2un.sdf -rw-rw-r-- root/root 4475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h03_3un.sdf -rw-rw-r-- root/root 4405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h04_4un.sdf -rw-rw-r-- root/root 1867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h0j_urn.sdf -rw-rw-r-- root/root 1976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h0t_tem.sdf -rw-rw-r-- root/root 6558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h26_6pl.sdf -rw-rw-r-- root/root 4105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h2i_zpg.sdf -rw-rw-r-- root/root 2604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h3e_6pr.sdf -rw-rw-r-- root/root 2800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h3w_hc5.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h44_7ca.sdf -rw-rw-r-- root/root 3147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h4g_694.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h4i_lbt.sdf -rw-rw-r-- root/root 3017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h4k_509.sdf -rw-rw-r-- root/root 4113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h55_dz8.sdf -rw-rw-r-- root/root 5496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h59_3od.sdf -rw-rw-r-- root/root 2857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h5l_3dd.sdf -rw-rw-r-- root/root 3349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h79_t3.sdf -rw-rw-r-- root/root 2902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h7j_p15.sdf -rw-rw-r-- root/root 1393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h7r_1mz.sdf -rw-rw-r-- root/root 5185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h8h_h8h.sdf -rw-rw-r-- root/root 3480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h8m_nei.sdf -rw-rw-r-- root/root 3672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h96_893.sdf -rw-rw-r-- root/root 7326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h9i_ead.sdf -rw-rw-r-- root/root 2698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2h9y_naf.sdf -rw-rw-r-- root/root 3026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ha6_sck.sdf -rw-rw-r-- root/root 2097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ha7_bch.sdf -rw-rw-r-- root/root 1509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ha7_etm.sdf -rw-rw-r-- root/root 3769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hai_pfi.sdf -rw-rw-r-- root/root 4715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ham_c33.sdf -rw-rw-r-- root/root 4965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2har_occ.sdf -rw-rw-r-- root/root 4825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2has_c3o.sdf -rw-rw-r-- root/root 2329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hb1_512.sdf -rw-rw-r-- root/root 5389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hb3_grl.sdf -rw-rw-r-- root/root 4855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hb7_o1c.sdf -rw-rw-r-- root/root 4504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hb8_mvd.sdf -rw-rw-r-- root/root 2348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hb9_l13.sdf -rw-rw-r-- root/root 4321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hbh_xe4.sdf -rw-rw-r-- root/root 3530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hch_n5a.sdf -rw-rw-r-- root/root 3211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hck_que.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hdq_c21.sdf -rw-rw-r-- root/root 1940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hdr_4a3.sdf -rw-rw-r-- root/root 2287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hds_4mb.sdf -rw-rw-r-- root/root 2081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hdu_f12.sdf -rw-rw-r-- root/root 3239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hfk_e4h.sdf -rw-rw-r-- root/root 5320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hfp_nsi.sdf -rw-rw-r-- root/root 3532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hg1_n5o.sdf -rw-rw-r-- root/root 2993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hgz_pbf.sdf -rw-rw-r-- root/root 3800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hha_3tp.sdf -rw-rw-r-- root/root 5274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hhn_gnq.sdf -rw-rw-r-- root/root 3985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hhw_23t.sdf -rw-rw-r-- root/root 4610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hiw_7mp.sdf -rw-rw-r-- root/root 1970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hj4_pnz.sdf -rw-rw-r-- root/root 1848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hjb_pzm.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hk5_1bm.sdf -rw-rw-r-- root/root 2238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hlv_lik.sdf -rw-rw-r-- root/root 2252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hml_pey.sdf -rw-rw-r-- root/root 2246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hmm_an3.sdf -rw-rw-r-- root/root 1835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hmo_3nt.sdf -rw-rw-r-- root/root 1802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hmp_211.sdf -rw-rw-r-- root/root 3379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hnz_pc0.sdf -rw-rw-r-- root/root 4495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hog_710.sdf -rw-rw-r-- root/root 3535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hp1_ea5.sdf -rw-rw-r-- root/root 3526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hp2_ke4.sdf -rw-rw-r-- root/root 2196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hpa_pt3.sdf -rw-rw-r-- root/root 3093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hs3_fgr.sdf -rw-rw-r-- root/root 3461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2htu_bcz.sdf -rw-rw-r-- root/root 4164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hu6_37a.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2huw_yvn.sdf -rw-rw-r-- root/root 3756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hvc_lgd.sdf -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hvx_drx.sdf -rw-rw-r-- root/root 3639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hwh_rna.sdf -rw-rw-r-- root/root 3830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hwi_vrx.sdf -rw-rw-r-- root/root 5286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hwq_dry.sdf -rw-rw-r-- root/root 2812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hx2_3hx.sdf -rw-rw-r-- root/root 3619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hx4_4hx.sdf -rw-rw-r-- root/root 1565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hxc_abn.sdf -rw-rw-r-- root/root 4112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hxl_422.sdf -rw-rw-r-- root/root 3655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hxm_302.sdf -rw-rw-r-- root/root 4106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hxq_373.sdf -rw-rw-r-- root/root 1869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hxt_ehm.sdf -rw-rw-r-- root/root 2073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hxu_lfc.sdf -rw-rw-r-- root/root 3861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hxz_h7j.sdf -rw-rw-r-- root/root 4453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hy0_306.sdf -rw-rw-r-- root/root 5012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hy8_1st.sdf -rw-rw-r-- root/root 4316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hz0_gin.sdf -rw-rw-r-- root/root 4133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hzi_jin.sdf -rw-rw-r-- root/root 3801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hzn_kin.sdf -rw-rw-r-- root/root 2475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2hzy_dhj.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i0e_pds.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i0g_i0g.sdf -rw-rw-r-- root/root 3495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i0v_6c3.sdf -rw-rw-r-- root/root 3629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i1m_5cn.sdf -rw-rw-r-- root/root 4090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i1r_vxr.sdf -rw-rw-r-- root/root 2705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i2b_cc5.sdf -rw-rw-r-- root/root 5323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i2c_dta.sdf -rw-rw-r-- root/root 6154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i2d_a2d.sdf -rw-rw-r-- root/root 1826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i30_sal.sdf -rw-rw-r-- root/root 4959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i3i_618.sdf -rw-rw-r-- root/root 3968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i3z_lir.sdf -rw-rw-r-- root/root 4334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i40_blz.sdf -rw-rw-r-- root/root 4790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i47_kgy.sdf -rw-rw-r-- root/root 6070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i4d_qfi.sdf -rw-rw-r-- root/root 5021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i4g_ua1.sdf -rw-rw-r-- root/root 4513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i4j_drj.sdf -rw-rw-r-- root/root 4260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i4m_psd.sdf -rw-rw-r-- root/root 4114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i4n_5ca.sdf -rw-rw-r-- root/root 4834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i4q_ua4.sdf -rw-rw-r-- root/root 5335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i4u_djr.sdf -rw-rw-r-- root/root 4449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i5c_ip5.sdf -rw-rw-r-- root/root 4449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i5f_5ip.sdf -rw-rw-r-- root/root 3607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i5j_k05.sdf -rw-rw-r-- root/root 2161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i5x_ua5.sdf -rw-rw-r-- root/root 5173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i66_g1r.sdf -rw-rw-r-- root/root 5154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i66_g2r.sdf -rw-rw-r-- root/root 3133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i6a_5i5.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i6b_89i.sdf -rw-rw-r-- root/root 1953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i6k_ea2.sdf -rw-rw-r-- root/root 2583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i7d_dur.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i80_g1l.sdf -rw-rw-r-- root/root 3217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2i9g_bpi.sdf -rw-rw-r-- root/root 5126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ica_2ic.sdf -rw-rw-r-- root/root 6880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ie0_zid.sdf -rw-rw-r-- root/root 3977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ieg_fry.sdf -rw-rw-r-- root/root 3560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ieh_moy.sdf -rw-rw-r-- root/root 4326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iei_frx.sdf -rw-rw-r-- root/root 5220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iej_s48.sdf -rw-rw-r-- root/root 6271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2igx_a1t.sdf -rw-rw-r-- root/root 5297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2igy_a2t.sdf -rw-rw-r-- root/root 3477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ihq_lg7.sdf -rw-rw-r-- root/root 5075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ihu_tp8.sdf -rw-rw-r-- root/root 3720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ihu_tp9.sdf -rw-rw-r-- root/root 1965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ihv_gva.sdf -rw-rw-r-- root/root 3985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iit_872.sdf -rw-rw-r-- root/root 3529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iiv_565.sdf -rw-rw-r-- root/root 3024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ikg_bto.sdf -rw-rw-r-- root/root 2824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ikh_lit.sdf -rw-rw-r-- root/root 3496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iki_388.sdf -rw-rw-r-- root/root 3608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ikj_393.sdf -rw-rw-r-- root/root 4348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iku_liy.sdf -rw-rw-r-- root/root 5859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2il2_lix.sdf -rw-rw-r-- root/root 2226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ilp_gb5.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ilt_nn1.sdf -rw-rw-r-- root/root 2351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ima_gb4.sdf -rw-rw-r-- root/root 2208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2imb_ahl.sdf -rw-rw-r-- root/root 4213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2in6_839.sdf -rw-rw-r-- root/root 1686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2inx_ffp.sdf -rw-rw-r-- root/root 1934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2inz_ohp.sdf -rw-rw-r-- root/root 4328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2io6_330.sdf -rw-rw-r-- root/root 4200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iok_iok.sdf -rw-rw-r-- root/root 3279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ipf_ffa.sdf -rw-rw-r-- root/root 2553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ipo_1ip.sdf -rw-rw-r-- root/root 1988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iqd_lpa.sdf -rw-rw-r-- root/root 6525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2irv_pgv.sdf -rw-rw-r-- root/root 4026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2irw_nn4.sdf -rw-rw-r-- root/root 2060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2is7_2cl.sdf -rw-rw-r-- root/root 1813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2isf_pac.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iso_gff.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2isp_ggh.sdf -rw-rw-r-- root/root 1813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2itm_xul.sdf -rw-rw-r-- root/root 4250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ito_ire.sdf -rw-rw-r-- root/root 4776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2itq_itq.sdf -rw-rw-r-- root/root 2157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iu3_203.sdf -rw-rw-r-- root/root 1711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iux_nxa.sdf -rw-rw-r-- root/root 3979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iuz_d1h.sdf -rw-rw-r-- root/root 3470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ivd_acj.sdf -rw-rw-r-- root/root 3563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ive_twn.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ivi_acw.sdf -rw-rw-r-- root/root 3552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ivj_bcv.sdf -rw-rw-r-- root/root 3450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ivs_ack.sdf -rw-rw-r-- root/root 4164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ivu_zd6.sdf -rw-rw-r-- root/root 4612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iw6_qq2.sdf -rw-rw-r-- root/root 2539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iwe_2ih.sdf -rw-rw-r-- root/root 4417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iwi_hb1.sdf -rw-rw-r-- root/root 3293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iws_np4.sdf -rw-rw-r-- root/root 3293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iwu_np5.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2iwx_m1s.sdf -rw-rw-r-- root/root 1886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2izk_gll.sdf -rw-rw-r-- root/root 3657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2izr_brk.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2izs_brq.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2izu_p01.sdf -rw-rw-r-- root/root 3941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j08_irf.sdf -rw-rw-r-- root/root 4767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j14_gni.sdf -rw-rw-r-- root/root 4802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j2i_ly4.sdf -rw-rw-r-- root/root 1885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j2p_sc2.sdf -rw-rw-r-- root/root 4290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j2u_gsq.sdf -rw-rw-r-- root/root 4284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j34_gs6.sdf -rw-rw-r-- root/root 4292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j38_gs5.sdf -rw-rw-r-- root/root 1924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j3k_hne.sdf -rw-rw-r-- root/root 3055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j3q_tfl.sdf -rw-rw-r-- root/root 3900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j47_gdv.sdf -rw-rw-r-- root/root 3448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j4a_oef.sdf -rw-rw-r-- root/root 2707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j4g_nb1.sdf -rw-rw-r-- root/root 4974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j4i_gsj.sdf -rw-rw-r-- root/root 4478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j4z_626.sdf -rw-rw-r-- root/root 4036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j51_dki.sdf -rw-rw-r-- root/root 1649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j5v_pca.sdf -rw-rw-r-- root/root 2324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j5v_rgp.sdf -rw-rw-r-- root/root 4041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j62_gsz.sdf -rw-rw-r-- root/root 4602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j6m_aee.sdf -rw-rw-r-- root/root 2018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j75_noy.sdf -rw-rw-r-- root/root 3421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j7c_ide.sdf -rw-rw-r-- root/root 2907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j7d_gi1.sdf -rw-rw-r-- root/root 3021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j7e_gi2.sdf -rw-rw-r-- root/root 2780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j7f_gi3.sdf -rw-rw-r-- root/root 2920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j7g_gi4.sdf -rw-rw-r-- root/root 1860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j7h_azf.sdf -rw-rw-r-- root/root 5350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j7t_274.sdf -rw-rw-r-- root/root 3263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j7y_e3o.sdf -rw-rw-r-- root/root 4447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j94_g15.sdf -rw-rw-r-- root/root 4400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j95_gsx.sdf -rw-rw-r-- root/root 4346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j9f_thv.sdf -rw-rw-r-- root/root 3178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2j9y_foo.sdf -rw-rw-r-- root/root 2064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jai_cir.sdf -rw-rw-r-- root/root 2543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jaj_d20.sdf -rw-rw-r-- root/root 4175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jam_j60.sdf -rw-rw-r-- root/root 1271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jau_po4.sdf -rw-rw-r-- root/root 3471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jav_5z5.sdf -rw-rw-r-- root/root 3459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jaw_bvp.sdf -rw-rw-r-- root/root 3660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jb4_a14.sdf -rw-rw-r-- root/root 1683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jb8_hkv.sdf -rw-rw-r-- root/root 1926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jbt_4hp.sdf -rw-rw-r-- root/root 4497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jc0_699.sdf -rw-rw-r-- root/root 4479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jc1_698.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jc6_qpp.sdf -rw-rw-r-- root/root 4103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jcs_ttp.sdf -rw-rw-r-- root/root 6428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jcv_ndp.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jdr_l20.sdf -rw-rw-r-- root/root 4837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jed_lg8.sdf -rw-rw-r-- root/root 8432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jev_nhq.sdf -rw-rw-r-- root/root 2678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jew_720.sdf -rw-rw-r-- root/root 3540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jey_hlo.sdf -rw-rw-r-- root/root 3549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jf4_vdm.sdf -rw-rw-r-- root/root 3911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jff_lk2.sdf -rw-rw-r-- root/root 3912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jfh_lk1.sdf -rw-rw-r-- root/root 4582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jfz_003.sdf -rw-rw-r-- root/root 3854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jg0_ttz.sdf -rw-rw-r-- root/root 3779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jg3_ba2.sdf -rw-rw-r-- root/root 1673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jgi_ae3.sdf -rw-rw-r-- root/root 1354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jhg_ibo.sdf -rw-rw-r-- root/root 6872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ji6_oxk.sdf -rw-rw-r-- root/root 9946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ji7_oxt.sdf -rw-rw-r-- root/root 6739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ji8_fyn.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ji9_tpw.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jid_gvb.sdf -rw-rw-r-- root/root 2578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jiw_beu.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jj3_jj3.sdf -rw-rw-r-- root/root 2931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jjg_l18.sdf -rw-rw-r-- root/root 4707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jjk_r15.sdf -rw-rw-r-- root/root 6471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jjo_ey5.sdf -rw-rw-r-- root/root 4956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jjp_kln.sdf -rw-rw-r-- root/root 5019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jk7_bi6.sdf -rw-rw-r-- root/root 4364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jkh_bi7.sdf -rw-rw-r-- root/root 3023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jkl_brx.sdf -rw-rw-r-- root/root 5164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jkm_bii.sdf -rw-rw-r-- root/root 4895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jko_bij.sdf -rw-rw-r-- root/root 5430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jkq_vg8.sdf -rw-rw-r-- root/root 5311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jld_ag1.sdf -rw-rw-r-- root/root 3261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2jle_i15.sdf -rw-rw-r-- root/root 2528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ki5_ac2.sdf -rw-rw-r-- root/root 2260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2lig_phn.sdf -rw-rw-r-- root/root 2618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2mas_pir.sdf -rw-rw-r-- root/root 5986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2mbr_epu.sdf -rw-rw-r-- root/root 2836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nm2_neu.sdf -rw-rw-r-- root/root 2836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nm3_mpu.sdf -rw-rw-r-- root/root 5692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nmt_mim.sdf -rw-rw-r-- root/root 1240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nmv_nml.sdf -rw-rw-r-- root/root 2527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nmx_m25.sdf -rw-rw-r-- root/root 2437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nn1_m28.sdf -rw-rw-r-- root/root 2661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nn7_m29.sdf -rw-rw-r-- root/root 5598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nni_mtk.sdf -rw-rw-r-- root/root 3642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nnj_225.sdf -rw-rw-r-- root/root 3153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nnl_erd.sdf -rw-rw-r-- root/root 3473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2no3_859.sdf -rw-rw-r-- root/root 2773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2no6_etv.sdf -rw-rw-r-- root/root 2652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2no7_ldc.sdf -rw-rw-r-- root/root 2569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2no9_ltt.sdf -rw-rw-r-- root/root 2574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2noa_3tc.sdf -rw-rw-r-- root/root 3304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2np6_nea.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2np8_cc3.sdf -rw-rw-r-- root/root 4515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2npa_mmb.sdf -rw-rw-r-- root/root 6512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2npf_mou.sdf -rw-rw-r-- root/root 3237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nq6_hm4.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nq7_hm5.sdf -rw-rw-r-- root/root 4768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nr9_pqe.sdf -rw-rw-r-- root/root 4430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nru_t12.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nsd_4pi.sdf -rw-rw-r-- root/root 5298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nt7_902.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nta_521.sdf -rw-rw-r-- root/root 7436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ntj_p1h.sdf -rw-rw-r-- root/root 2904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nuv_2tn.sdf -rw-rw-r-- root/root 2994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nv7_555.sdf -rw-rw-r-- root/root 3966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nvc_ita.sdf -rw-rw-r-- root/root 3494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nvd_itb.sdf -rw-rw-r-- root/root 3265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nw4_8nh.sdf -rw-rw-r-- root/root 2672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nww_tb1.sdf -rw-rw-r-- root/root 3605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nx3_1nt.sdf -rw-rw-r-- root/root 2388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2nz5_226.sdf -rw-rw-r-- root/root 2556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o0e_s3p.sdf -rw-rw-r-- root/root 4708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o0u_c0m.sdf -rw-rw-r-- root/root 3245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o0z_eps.sdf -rw-rw-r-- root/root 2529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o2c_g6q.sdf -rw-rw-r-- root/root 3169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o2u_738.sdf -rw-rw-r-- root/root 4716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o3q_cxr.sdf -rw-rw-r-- root/root 4889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o3t_cgr.sdf -rw-rw-r-- root/root 6325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o3u_ngd.sdf -rw-rw-r-- root/root 2596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o3z_ai7.sdf -rw-rw-r-- root/root 4323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o4j_vd4.sdf -rw-rw-r-- root/root 4323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o4r_vd5.sdf -rw-rw-r-- root/root 2078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o51_fru.sdf -rw-rw-r-- root/root 5243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o5d_vr1.sdf -rw-rw-r-- root/root 4809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o5k_hbm.sdf -rw-rw-r-- root/root 3306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o65_myf.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o7n_2o7.sdf -rw-rw-r-- root/root 4616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o7o_dxt.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2o8h_227.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oae_ail.sdf -rw-rw-r-- root/root 3694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oat_pfm.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oaz_i96.sdf -rw-rw-r-- root/root 6802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2obd_pcw.sdf -rw-rw-r-- root/root 3388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2obj_vrv.sdf -rw-rw-r-- root/root 5920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oc2_rx3.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oci_tyc.sdf -rw-rw-r-- root/root 2221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oem_1ae.sdf -rw-rw-r-- root/root 4173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2of2_547.sdf -rw-rw-r-- root/root 4185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2of4_979.sdf -rw-rw-r-- root/root 3744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2of8_bni.sdf -rw-rw-r-- root/root 4537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2off_off.sdf -rw-rw-r-- root/root 6454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ofu_1n9.sdf -rw-rw-r-- root/root 4298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ofv_242.sdf -rw-rw-r-- root/root 5465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2og8_1n8.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ogy_c2f.sdf -rw-rw-r-- root/root 3474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ogz_u1n.sdf -rw-rw-r-- root/root 4117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oh0_2py.sdf -rw-rw-r-- root/root 4902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oh4_gig.sdf -rw-rw-r-- root/root 3010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oi0_283.sdf -rw-rw-r-- root/root 5031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oiq_sti.sdf -rw-rw-r-- root/root 4235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oj9_bmi.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ojf_4py.sdf -rw-rw-r-- root/root 3154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ojg_19a.sdf -rw-rw-r-- root/root 4407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ojj_82a.sdf -rw-rw-r-- root/root 3869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ok1_33a.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ole_kr2.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2olh_cbi.sdf -rw-rw-r-- root/root 4240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2om9_aja.sdf -rw-rw-r-- root/root 1936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2onb_7pa.sdf -rw-rw-r-- root/root 3867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2onc_sy1.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ony_tmj.sdf -rw-rw-r-- root/root 2771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ooh_ox3.sdf -rw-rw-r-- root/root 2903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oow_ox4.sdf -rw-rw-r-- root/root 1924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ooz_ox5.sdf -rw-rw-r-- root/root 4077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2op9_wr1.sdf -rw-rw-r-- root/root 2242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2opa_fhc.sdf -rw-rw-r-- root/root 3283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2opb_f21.sdf -rw-rw-r-- root/root 3482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oph_277.sdf -rw-rw-r-- root/root 2812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2opm_ni9.sdf -rw-rw-r-- root/root 2288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2opn_suf.sdf -rw-rw-r-- root/root 3057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2opp_hbq.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2opy_co9.sdf -rw-rw-r-- root/root 4464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oqv_ma9.sdf -rw-rw-r-- root/root 2278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2or4_qus.sdf -rw-rw-r-- root/root 2479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2orj_bm3.sdf -rw-rw-r-- root/root 4381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oro_228.sdf -rw-rw-r-- root/root 5069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2orp_r86.sdf -rw-rw-r-- root/root 2048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2orq_msr.sdf -rw-rw-r-- root/root 3941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2orr_333.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ors_391.sdf -rw-rw-r-- root/root 4004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ort_342.sdf -rw-rw-r-- root/root 4504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2osc_muh.sdf -rw-rw-r-- root/root 3607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ot1_n3p.sdf -rw-rw-r-- root/root 4358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ouz_c3d.sdf -rw-rw-r-- root/root 4818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ov4_aqp.sdf -rw-rw-r-- root/root 4195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ovv_pfh.sdf -rw-rw-r-- root/root 4192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ovy_pfj.sdf -rw-rw-r-- root/root 5332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ow3_bim.sdf -rw-rw-r-- root/root 2216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ow6_nk1.sdf -rw-rw-r-- root/root 2088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ow7_nk2.sdf -rw-rw-r-- root/root 3960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ow9_sp6.sdf -rw-rw-r-- root/root 2331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oxd_k32.sdf -rw-rw-r-- root/root 2339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oxx_k22.sdf -rw-rw-r-- root/root 2196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oxy_k17.sdf -rw-rw-r-- root/root 4213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oye_im8.sdf -rw-rw-r-- root/root 2202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oyf_iac.sdf -rw-rw-r-- root/root 4586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oyq_n5p.sdf -rw-rw-r-- root/root 4214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oyu_ims.sdf -rw-rw-r-- root/root 1351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oz0_pyr.sdf -rw-rw-r-- root/root 4020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2oz7_ca4.sdf -rw-rw-r-- root/root 4418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ozr_gg1.sdf -rw-rw-r-- root/root 4562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p15_ezt.sdf -rw-rw-r-- root/root 4697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p16_gg2.sdf -rw-rw-r-- root/root 2208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p1n_cfa.sdf -rw-rw-r-- root/root 4876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p1s_gfg.sdf -rw-rw-r-- root/root 4002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p1t_3tn.sdf -rw-rw-r-- root/root 4110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p1u_4tn.sdf -rw-rw-r-- root/root 4217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p1v_5tn.sdf -rw-rw-r-- root/root 4387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p2h_994.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p2i_608.sdf -rw-rw-r-- root/root 4004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p33_j07.sdf -rw-rw-r-- root/root 3610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p37_m13.sdf -rw-rw-r-- root/root 6653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p3l_g3a.sdf -rw-rw-r-- root/root 6805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p3o_gta.sdf -rw-rw-r-- root/root 6750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p3q_gp3.sdf -rw-rw-r-- root/root 4980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p3t_993.sdf -rw-rw-r-- root/root 4857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p3u_663.sdf -rw-rw-r-- root/root 7049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p41_g1g.sdf -rw-rw-r-- root/root 5472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p4i_mr9.sdf -rw-rw-r-- root/root 5408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p4y_c03.sdf -rw-rw-r-- root/root 3159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p53_nng.sdf -rw-rw-r-- root/root 4574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p54_735.sdf -rw-rw-r-- root/root 3588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p55_mra.sdf -rw-rw-r-- root/root 7004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p59_gg4.sdf -rw-rw-r-- root/root 3671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p6f_gn8.sdf -rw-rw-r-- root/root 3659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p6g_3lp.sdf -rw-rw-r-- root/root 2508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p71_ihd.sdf -rw-rw-r-- root/root 1692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p7a_43m.sdf -rw-rw-r-- root/root 4129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p7t_1em.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p8b_nsk.sdf -rw-rw-r-- root/root 2472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p8o_bva.sdf -rw-rw-r-- root/root 4206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p8s_417.sdf -rw-rw-r-- root/root 3848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p93_me1.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p94_me4.sdf -rw-rw-r-- root/root 4248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p95_me5.sdf -rw-rw-r-- root/root 2675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p98_ye7.sdf -rw-rw-r-- root/root 2548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2p9a_ye6.sdf -rw-rw-r-- root/root 3059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2paf_npf.sdf -rw-rw-r-- root/root 2532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pax_4an.sdf -rw-rw-r-- root/root 3495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pbw_doq.sdf -rw-rw-r-- root/root 2598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pd3_tcl.sdf -rw-rw-r-- root/root 2486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pd4_dcn.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pdh_47d.sdf -rw-rw-r-- root/root 2807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pe0_39z.sdf -rw-rw-r-- root/root 3146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pe1_517.sdf -rw-rw-r-- root/root 5042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pe2_464.sdf -rw-rw-r-- root/root 3181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pe5_145.sdf -rw-rw-r-- root/root 2192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2per_mnb.sdf -rw-rw-r-- root/root 3356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pfg_ddd.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pfh_ldt.sdf -rw-rw-r-- root/root 3541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pg2_k01.sdf -rw-rw-r-- root/root 2733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pga_anu.sdf -rw-rw-r-- root/root 4721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pgl_n1c.sdf -rw-rw-r-- root/root 4389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ph8_35a.sdf -rw-rw-r-- root/root 4731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2phb_230.sdf -rw-rw-r-- root/root 4816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pid_ysa.sdf -rw-rw-r-- root/root 2480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pin_leg.sdf -rw-rw-r-- root/root 1824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pio_2mi.sdf -rw-rw-r-- root/root 3107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pit_4hy.sdf -rw-rw-r-- root/root 4621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2piy_528.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2piz_606.sdf -rw-rw-r-- root/root 4629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pj0_922.sdf -rw-rw-r-- root/root 4383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pj1_578.sdf -rw-rw-r-- root/root 4382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pj2_864.sdf -rw-rw-r-- root/root 4626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pj3_86a.sdf -rw-rw-r-- root/root 4994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pj4_414.sdf -rw-rw-r-- root/root 4836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pj5_11b.sdf -rw-rw-r-- root/root 4497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pj6_059.sdf -rw-rw-r-- root/root 4264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pj7_235.sdf -rw-rw-r-- root/root 4954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pj8_17a.sdf -rw-rw-r-- root/root 4657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pj9_281.sdf -rw-rw-r-- root/root 5917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pja_33z.sdf -rw-rw-r-- root/root 5898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pjb_983.sdf -rw-rw-r-- root/root 6034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pjc_343.sdf -rw-rw-r-- root/root 3610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pjl_047.sdf -rw-rw-r-- root/root 4402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pjt_347.sdf -rw-rw-r-- root/root 2343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pnc_clu.sdf -rw-rw-r-- root/root 1930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pnr_red.sdf -rw-rw-r-- root/root 4635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pnu_enm.sdf -rw-rw-r-- root/root 2238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pp1_llh.sdf -rw-rw-r-- root/root 2290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pp3_lgt.sdf -rw-rw-r-- root/root 4061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pq9_gg9.sdf -rw-rw-r-- root/root 5203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pqz_g0g.sdf -rw-rw-r-- root/root 7570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pr2_dg1.sdf -rw-rw-r-- root/root 3942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2prh_238.sdf -rw-rw-r-- root/root 2259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2prl_ddq.sdf -rw-rw-r-- root/root 3538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2prl_r2c.sdf -rw-rw-r-- root/root 1943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ps1_oro.sdf -rw-rw-r-- root/root 4302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2psj_cei.sdf -rw-rw-r-- root/root 4936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2psu_muu.sdf -rw-rw-r-- root/root 4591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2psv_muv.sdf -rw-rw-r-- root/root 3760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pu2_dk2.sdf -rw-rw-r-- root/root 2549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2puj_hpz.sdf -rw-rw-r-- root/root 2011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pun_sr1.sdf -rw-rw-r-- root/root 2541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2put_f6r.sdf -rw-rw-r-- root/root 2563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2puv_m6r.sdf -rw-rw-r-- root/root 2094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2puz_nig.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pvh_p19.sdf -rw-rw-r-- root/root 3775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pvj_p44.sdf -rw-rw-r-- root/root 3878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pvk_p45.sdf -rw-rw-r-- root/root 3761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pvl_p55.sdf -rw-rw-r-- root/root 3790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pvm_p29.sdf -rw-rw-r-- root/root 4096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pvn_p63.sdf -rw-rw-r-- root/root 1952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pvv_ose.sdf -rw-rw-r-- root/root 2297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pvw_g88.sdf -rw-rw-r-- root/root 2028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pw0_trc.sdf -rw-rw-r-- root/root 1396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pwa_b2a.sdf -rw-rw-r-- root/root 1746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2px1_rip.sdf -rw-rw-r-- root/root 2783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pxh_bp5.sdf -rw-rw-r-- root/root 4568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pxi_gfh.sdf -rw-rw-r-- root/root 2977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pyz_au4.sdf -rw-rw-r-- root/root 2866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pzi_axx.sdf -rw-rw-r-- root/root 4443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2pzy_b18.sdf -rw-rw-r-- root/root 2115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q09_di6.sdf -rw-rw-r-- root/root 5576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q1l_882.sdf -rw-rw-r-- root/root 6034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q2n_h01.sdf -rw-rw-r-- root/root 4859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q2y_mkr.sdf -rw-rw-r-- root/root 4696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q2z_mkk.sdf -rw-rw-r-- root/root 5680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q3j_h02.sdf -rw-rw-r-- root/root 5136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q59_240.sdf -rw-rw-r-- root/root 2888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q5a_16p.sdf -rw-rw-r-- root/root 5770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q5g_1fa.sdf -rw-rw-r-- root/root 4197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q5l_s1t.sdf -rw-rw-r-- root/root 5138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q5p_241.sdf -rw-rw-r-- root/root 2294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q5q_kpv.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q5s_nza.sdf -rw-rw-r-- root/root 3841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q61_sf1.sdf -rw-rw-r-- root/root 5200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q6b_hr2.sdf -rw-rw-r-- root/root 5513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q6c_hr1.sdf -rw-rw-r-- root/root 4395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q6j_a48.sdf -rw-rw-r-- root/root 3274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q6m_p34.sdf -rw-rw-r-- root/root 2054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q6n_1ci.sdf -rw-rw-r-- root/root 4081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q6r_sf2.sdf -rw-rw-r-- root/root 1716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q7q_c2b.sdf -rw-rw-r-- root/root 3618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q85_973.sdf -rw-rw-r-- root/root 4335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q8g_azx.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q8i_rdc.sdf -rw-rw-r-- root/root 3067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q8m_fbp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q8s_l92.sdf -rw-rw-r-- root/root 2663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q92_b23.sdf -rw-rw-r-- root/root 2522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q93_b21.sdf -rw-rw-r-- root/root 2874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q94_a04.sdf -rw-rw-r-- root/root 2798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q95_a05.sdf -rw-rw-r-- root/root 2540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q96_a18.sdf -rw-rw-r-- root/root 4546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2q9f_c3s.sdf -rw-rw-r-- root/root 5035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qbp_527.sdf -rw-rw-r-- root/root 4342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qbq_4b3.sdf -rw-rw-r-- root/root 3964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qbr_910.sdf -rw-rw-r-- root/root 3871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qbs_024.sdf -rw-rw-r-- root/root 2463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qc6_g12.sdf -rw-rw-r-- root/root 3306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qcg_5bu.sdf -rw-rw-r-- root/root 3448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qcm_jw5.sdf -rw-rw-r-- root/root 4739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qct_561.sdf -rw-rw-r-- root/root 2472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qcx_pf1.sdf -rw-rw-r-- root/root 1967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qdt_i38.sdf -rw-rw-r-- root/root 3581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qe2_452.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qe5_617.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qg0_a94.sdf -rw-rw-r-- root/root 4352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qh6_ode.sdf -rw-rw-r-- root/root 2696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qhn_582.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qhx_fe1.sdf -rw-rw-r-- root/root 5297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qhy_mz1.sdf -rw-rw-r-- root/root 5424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qhz_mz2.sdf -rw-rw-r-- root/root 5393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qi0_mz3.sdf -rw-rw-r-- root/root 5384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qi1_mz4.sdf -rw-rw-r-- root/root 5094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qi3_mz5.sdf -rw-rw-r-- root/root 5296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qi4_mz6.sdf -rw-rw-r-- root/root 5393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qi5_mz7.sdf -rw-rw-r-- root/root 5165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qi6_mz8.sdf -rw-rw-r-- root/root 5011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qi7_mz9.sdf -rw-rw-r-- root/root 7428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qia_u20.sdf -rw-rw-r-- root/root 3490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qie_8cs.sdf -rw-rw-r-- root/root 6008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qiq_cyv.sdf -rw-rw-r-- root/root 6987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qiv_u21.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qje_bad.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qjm_cs2.sdf -rw-rw-r-- root/root 4126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qjr_pzf.sdf -rw-rw-r-- root/root 2779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ql6_tiz.sdf -rw-rw-r-- root/root 3850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qlq_sr2.sdf -rw-rw-r-- root/root 2251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qmy_ad1.sdf -rw-rw-r-- root/root 4964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qn1_0as.sdf -rw-rw-r-- root/root 4812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qn2_0ma.sdf -rw-rw-r-- root/root 3776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qn8_nby.sdf -rw-rw-r-- root/root 5462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qnq_qn3.sdf -rw-rw-r-- root/root 1042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qnv_cdz.sdf -rw-rw-r-- root/root 3392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qo8_3cc.sdf -rw-rw-r-- root/root 4186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qoe_448.sdf -rw-rw-r-- root/root 5248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qpj_i20.sdf -rw-rw-r-- root/root 2124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qpl_bty.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qpu_qpu.sdf -rw-rw-r-- root/root 2196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qr2_vk3.sdf -rw-rw-r-- root/root 4109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qr9_hz3.sdf -rw-rw-r-- root/root 3840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qs1_ub1.sdf -rw-rw-r-- root/root 3591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qs2_ubf.sdf -rw-rw-r-- root/root 4279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qs3_ube.sdf -rw-rw-r-- root/root 3653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qs4_ly5.sdf -rw-rw-r-- root/root 2907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qt0_nnr.sdf -rw-rw-r-- root/root 4589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qt9_524.sdf -rw-rw-r-- root/root 4700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qtb_474.sdf -rw-rw-r-- root/root 3836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qtu_3as.sdf -rw-rw-r-- root/root 4062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qu3_462.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qu5_276.sdf -rw-rw-r-- root/root 4985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qu6_857.sdf -rw-rw-r-- root/root 1965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qu9_eug.sdf -rw-rw-r-- root/root 2042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qum_tag.sdf -rw-rw-r-- root/root 7492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qv4_qv4.sdf -rw-rw-r-- root/root 3070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qwd_4am.sdf -rw-rw-r-- root/root 3406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qwe_gna.sdf -rw-rw-r-- root/root 3171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qwg_g28.sdf -rw-rw-r-- root/root 3553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qwi_g20.sdf -rw-rw-r-- root/root 2788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qx8_ml2.sdf -rw-rw-r-- root/root 3927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qyk_npv.sdf -rw-rw-r-- root/root 3885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qzr_s79.sdf -rw-rw-r-- root/root 2697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qzs_250.sdf -rw-rw-r-- root/root 2709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2qzz_emf.sdf -rw-rw-r-- root/root 4337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r0u_m54.sdf -rw-rw-r-- root/root 1441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r0y_aly.sdf -rw-rw-r-- root/root 2585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r1n_epl.sdf -rw-rw-r-- root/root 1712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r1p_dpj.sdf -rw-rw-r-- root/root 5465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r2l_pb9.sdf -rw-rw-r-- root/root 2846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r2w_4pg.sdf -rw-rw-r-- root/root 4006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r3m_scx.sdf -rw-rw-r-- root/root 3765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r3n_scz.sdf -rw-rw-r-- root/root 3992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r3p_3sc.sdf -rw-rw-r-- root/root 3801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r3q_5sc.sdf -rw-rw-r-- root/root 4864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r40_20e.sdf -rw-rw-r-- root/root 5161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r4f_rie.sdf -rw-rw-r-- root/root 4806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r59_ph0.sdf -rw-rw-r-- root/root 2440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r5n_rp5.sdf -rw-rw-r-- root/root 5530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r5q_1un.sdf -rw-rw-r-- root/root 4449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r64_740.sdf -rw-rw-r-- root/root 4781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r6w_llb.sdf -rw-rw-r-- root/root 4545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r6y_llc.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r7b_253.sdf -rw-rw-r-- root/root 5546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r8o_t5x.sdf -rw-rw-r-- root/root 5778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r8p_t6f.sdf -rw-rw-r-- root/root 5418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r9c_grd.sdf -rw-rw-r-- root/root 2053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r9k_sgi.sdf -rw-rw-r-- root/root 4127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r9m_y11.sdf -rw-rw-r-- root/root 4744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r9n_y14.sdf -rw-rw-r-- root/root 4607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r9o_y15.sdf -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r9s_255.sdf -rw-rw-r-- root/root 1469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r9s_tfa.sdf -rw-rw-r-- root/root 4116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r9w_23c.sdf -rw-rw-r-- root/root 4243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2r9x_wh6.sdf -rw-rw-r-- root/root 2987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rah_11p.sdf -rw-rw-r-- root/root 2776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rbe_zmg.sdf -rw-rw-r-- root/root 943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rch_243.sdf -rw-rw-r-- root/root 3223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rcw_aai.sdf -rw-rw-r-- root/root 3752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rdd_aic.sdf -rw-rw-r-- root/root 2730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rdn_1pl.sdf -rw-rw-r-- root/root 3132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rdt_2rd.sdf -rw-rw-r-- root/root 4454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2re8_gsu.sdf -rw-rw-r-- root/root 5302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rew_rew.sdf -rw-rw-r-- root/root 3162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rf2_mrx.sdf -rw-rw-r-- root/root 2456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rfh_23n.sdf -rw-rw-r-- root/root 5901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rfn_am7.sdf -rw-rw-r-- root/root 4338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rfs_am8.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rg5_279.sdf -rw-rw-r-- root/root 4723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rg6_287.sdf -rw-rw-r-- root/root 4553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rgp_hyz.sdf -rw-rw-r-- root/root 4841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rgu_356.sdf -rw-rw-r-- root/root 2984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rhr_emo.sdf -rw-rw-r-- root/root 2684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rht_c1e.sdf -rw-rw-r-- root/root 2054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rhu_mly.sdf -rw-rw-r-- root/root 2789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rhw_c0e.sdf -rw-rw-r-- root/root 1940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rhy_mlz.sdf -rw-rw-r-- root/root 2342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ria_289.sdf -rw-rw-r-- root/root 2239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rib_gmh.sdf -rw-rw-r-- root/root 3074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rid_291.sdf -rw-rw-r-- root/root 2287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rie_293.sdf -rw-rw-r-- root/root 3673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rip_34q.sdf -rw-rw-r-- root/root 4016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rj4_ad7.sdf -rw-rw-r-- root/root 4832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rjp_886.sdf -rw-rw-r-- root/root 1731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rkd_3pp.sdf -rw-rw-r-- root/root 1575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rke_sat.sdf -rw-rw-r-- root/root 3729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rki_tt1.sdf -rw-rw-r-- root/root 4783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2rl5_2rl.sdf -rw-rw-r-- root/root 4053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2roy_p28.sdf -rw-rw-r-- root/root 3183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2sli_skd.sdf -rw-rw-r-- root/root 3962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2tcl_ro4.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2tct_ctc.sdf -rw-rw-r-- root/root 2077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2tdt_npi.sdf -rw-rw-r-- root/root 2204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2tmn_0fa.sdf -rw-rw-r-- root/root 4228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2tys_plt.sdf -rw-rw-r-- root/root 5542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2upj_u02.sdf -rw-rw-r-- root/root 4004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2usn_in8.sdf -rw-rw-r-- root/root 3770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uue_mtz.sdf -rw-rw-r-- root/root 4732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uuh_lmu.sdf -rw-rw-r-- root/root 4023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uuo_lk3.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uup_lk4.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uv5_amz.sdf -rw-rw-r-- root/root 2795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uvy_gvi.sdf -rw-rw-r-- root/root 3377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uvz_gvj.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uw0_gvk.sdf -rw-rw-r-- root/root 2444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uw4_l15.sdf -rw-rw-r-- root/root 3173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uw5_gvn.sdf -rw-rw-r-- root/root 3495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uw7_gvp.sdf -rw-rw-r-- root/root 2547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uw8_gvq.sdf -rw-rw-r-- root/root 3855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uwd_2gg.sdf -rw-rw-r-- root/root 4067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uwl_895.sdf -rw-rw-r-- root/root 4191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uwo_701.sdf -rw-rw-r-- root/root 4046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uwp_894.sdf -rw-rw-r-- root/root 2998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uxi_g50.sdf -rw-rw-r-- root/root 6944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uxn_fda.sdf -rw-rw-r-- root/root 2337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uy3_h33.sdf -rw-rw-r-- root/root 2559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uy5_h35.sdf -rw-rw-r-- root/root 3696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uyi_k02.sdf -rw-rw-r-- root/root 3784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uym_k03.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uzl_c94.sdf -rw-rw-r-- root/root 3866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uzt_ss3.sdf -rw-rw-r-- root/root 4822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uzv_ss5.sdf -rw-rw-r-- root/root 3966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2uzw_ss4.sdf -rw-rw-r-- root/root 2544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v00_v15.sdf -rw-rw-r-- root/root 5344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v0i_ud1.sdf -rw-rw-r-- root/root 5160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v0z_c41.sdf -rw-rw-r-- root/root 4657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v10_c61.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v11_c80.sdf -rw-rw-r-- root/root 4785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v12_c39.sdf -rw-rw-r-- root/root 4549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v13_c40.sdf -rw-rw-r-- root/root 4828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v16_c47.sdf -rw-rw-r-- root/root 1829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v2a_13p.sdf -rw-rw-r-- root/root 4338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v2q_nvg.sdf -rw-rw-r-- root/root 4174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v2v_v12.sdf -rw-rw-r-- root/root 4614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v2z_cdm.sdf -rw-rw-r-- root/root 3046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v3e_nnd.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v3h_i25.sdf -rw-rw-r-- root/root 3620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v3i_xx6.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v3o_i26.sdf -rw-rw-r-- root/root 3590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v3r_xx7.sdf -rw-rw-r-- root/root 2078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v42_nds.sdf -rw-rw-r-- root/root 6084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v5x_v5x.sdf -rw-rw-r-- root/root 3274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v5z_sag.sdf -rw-rw-r-- root/root 3021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v77_pay.sdf -rw-rw-r-- root/root 2557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v7m_dte.sdf -rw-rw-r-- root/root 2986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v7v_5fd.sdf -rw-rw-r-- root/root 5349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v91_s55.sdf -rw-rw-r-- root/root 2993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2v9c_mre.sdf -rw-rw-r-- root/root 3292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vag_v25.sdf -rw-rw-r-- root/root 5461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vaq_vaw.sdf -rw-rw-r-- root/root 2139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2var_kdf.sdf -rw-rw-r-- root/root 3567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vau_v20.sdf -rw-rw-r-- root/root 2600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vba_p4t.sdf -rw-rw-r-- root/root 3825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vbb_vaz.sdf -rw-rw-r-- root/root 3569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vbd_v10.sdf -rw-rw-r-- root/root 3456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vbp_vb1.sdf -rw-rw-r-- root/root 4750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vc2_180.sdf -rw-rw-r-- root/root 1813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vce_tc7.sdf -rw-rw-r-- root/root 3699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vcg_s17.sdf -rw-rw-r-- root/root 4684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vci_2gj.sdf -rw-rw-r-- root/root 4450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vcj_2eq.sdf -rw-rw-r-- root/root 3684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vcm_m11.sdf -rw-rw-r-- root/root 2550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vcq_d25.sdf -rw-rw-r-- root/root 2303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vcw_zza.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vcx_d26.sdf -rw-rw-r-- root/root 2319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vcz_vc3.sdf -rw-rw-r-- root/root 3454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vd0_d27.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vd1_d28.sdf -rw-rw-r-- root/root 4072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vd4_p21.sdf -rw-rw-r-- root/root 4227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vd5_bi8.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vdm_agg.sdf -rw-rw-r-- root/root 3819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ve1_w2x.sdf -rw-rw-r-- root/root 2775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2veg_pmm.sdf -rw-rw-r-- root/root 2025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vek_asf.sdf -rw-rw-r-- root/root 5561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2veu_iz1.sdf -rw-rw-r-- root/root 5679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vev_iz2.sdf -rw-rw-r-- root/root 5447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vew_iz3.sdf -rw-rw-r-- root/root 5495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vex_iz4.sdf -rw-rw-r-- root/root 5572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vey_iz5.sdf -rw-rw-r-- root/root 4028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vf3_gvs.sdf -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vf5_glp.sdf -rw-rw-r-- root/root 2040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vft_sor.sdf -rw-rw-r-- root/root 1730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vg2_dpo.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vg5_nnc.sdf -rw-rw-r-- root/root 3505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vg6_nnb.sdf -rw-rw-r-- root/root 3499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vg7_nni.sdf -rw-rw-r-- root/root 2536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vgc_v35.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vgk_rez.sdf -rw-rw-r-- root/root 4077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vgo_ad5.sdf -rw-rw-r-- root/root 2695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vgp_ad6.sdf -rw-rw-r-- root/root 4763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vh0_gsi.sdf -rw-rw-r-- root/root 4829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vh6_gsv.sdf -rw-rw-r-- root/root 3595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vi0_vam.sdf -rw-rw-r-- root/root 3443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vi5_y19.sdf -rw-rw-r-- root/root 2197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vin_505.sdf -rw-rw-r-- root/root 2417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vio_l1o.sdf -rw-rw-r-- root/root 3585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vip_l1r.sdf -rw-rw-r-- root/root 3783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2viq_d55.sdf -rw-rw-r-- root/root 3940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2viv_vg2.sdf -rw-rw-r-- root/root 4283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2viw_d56.sdf -rw-rw-r-- root/root 4057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vj8_ha2.sdf -rw-rw-r-- root/root 5699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vkf_cf2.sdf -rw-rw-r-- root/root 3729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vkg_cf4.sdf -rw-rw-r-- root/root 2500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vku_dbe.sdf -rw-rw-r-- root/root 4215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vle_dzn.sdf -rw-rw-r-- root/root 3584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vlh_pm9.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vn0_tdz.sdf -rw-rw-r-- root/root 2287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vnp_ded.sdf -rw-rw-r-- root/root 3793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vnt_qgg.sdf -rw-rw-r-- root/root 2678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vnw_m01.sdf -rw-rw-r-- root/root 2549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vny_m02.sdf -rw-rw-r-- root/root 3548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vo0_m03.sdf -rw-rw-r-- root/root 3663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vo3_m04.sdf -rw-rw-r-- root/root 3570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vo6_m05.sdf -rw-rw-r-- root/root 1928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vpn_4cs.sdf -rw-rw-r-- root/root 2066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vpo_6cs.sdf -rw-rw-r-- root/root 2847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vpp_geo.sdf -rw-rw-r-- root/root 4313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vpr_tdc.sdf -rw-rw-r-- root/root 1692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vq5_hba.sdf -rw-rw-r-- root/root 4143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vqo_tfg.sdf -rw-rw-r-- root/root 3800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vqv_ha3.sdf -rw-rw-r-- root/root 3337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vrj_ncw.sdf -rw-rw-r-- root/root 5088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vrx_447.sdf -rw-rw-r-- root/root 1938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vsu_v55.sdf -rw-rw-r-- root/root 4635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vtd_lkm.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vte_ik4.sdf -rw-rw-r-- root/root 3467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vu1_opi.sdf -rw-rw-r-- root/root 3541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vu2_pn5.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vuk_p83.sdf -rw-rw-r-- root/root 2867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vur_yx1.sdf -rw-rw-r-- root/root 4474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vv9_im9.sdf -rw-rw-r-- root/root 4782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vvc_lzf.sdf -rw-rw-r-- root/root 2724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vvn_nht.sdf -rw-rw-r-- root/root 2575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vvo_a6p.sdf -rw-rw-r-- root/root 2299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vvp_r52.sdf -rw-rw-r-- root/root 2414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vvq_r10.sdf -rw-rw-r-- root/root 4397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vvt_i24.sdf -rw-rw-r-- root/root 4537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vvu_h22.sdf -rw-rw-r-- root/root 4502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vvv_h21.sdf -rw-rw-r-- root/root 5039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vw5_bc6.sdf -rw-rw-r-- root/root 5342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vwc_bc2.sdf -rw-rw-r-- root/root 4805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vwl_lzh.sdf -rw-rw-r-- root/root 4683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vwn_h25.sdf -rw-rw-r-- root/root 4682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vwo_lzg.sdf -rw-rw-r-- root/root 4560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vwu_7x1.sdf -rw-rw-r-- root/root 4064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vwv_7x3.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vww_7x2.sdf -rw-rw-r-- root/root 3998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vwx_7x4.sdf -rw-rw-r-- root/root 3979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vwy_7x5.sdf -rw-rw-r-- root/root 4108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vwz_7x6.sdf -rw-rw-r-- root/root 4216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vx0_7x7.sdf -rw-rw-r-- root/root 3854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vx1_7x8.sdf -rw-rw-r-- root/root 12228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vyp_rh9.sdf -rw-rw-r-- root/root 4580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vz7_pxi.sdf -rw-rw-r-- root/root 4923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vzm_nrb.sdf -rw-rw-r-- root/root 3605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vzq_unf.sdf -rw-rw-r-- root/root 2128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vzs_gcs.sdf -rw-rw-r-- root/root 3068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2vzt_pnj.sdf -rw-rw-r-- root/root 4224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w05_frt.sdf -rw-rw-r-- root/root 3904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w06_frv.sdf -rw-rw-r-- root/root 2094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w08_tpo.sdf -rw-rw-r-- root/root 3565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w09_cm9.sdf -rw-rw-r-- root/root 3281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w0a_cii.sdf -rw-rw-r-- root/root 3456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w0b_cmw.sdf -rw-rw-r-- root/root 4146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w0j_zat.sdf -rw-rw-r-- root/root 2602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w0u_c7c.sdf -rw-rw-r-- root/root 4688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w0v_lzr.sdf -rw-rw-r-- root/root 5582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w0w_lzs.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w15_wr2.sdf -rw-rw-r-- root/root 4636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w17_i19.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w1c_l0c.sdf -rw-rw-r-- root/root 4400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w1e_l0e.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w1f_l0f.sdf -rw-rw-r-- root/root 4111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w1g_l0g.sdf -rw-rw-r-- root/root 4083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w1i_l0i.sdf -rw-rw-r-- root/root 4164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w26_riv.sdf -rw-rw-r-- root/root 3841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w3b_vg9.sdf -rw-rw-r-- root/root 5650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w3l_dro.sdf -rw-rw-r-- root/root 3881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w4i_vga.sdf -rw-rw-r-- root/root 2793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w4x_stz.sdf -rw-rw-r-- root/root 3823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w5p_cl8.sdf -rw-rw-r-- root/root 3180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w5u_ic3.sdf -rw-rw-r-- root/root 2630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w66_hq6.sdf -rw-rw-r-- root/root 2361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w67_f34.sdf -rw-rw-r-- root/root 3836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w6c_bm4.sdf -rw-rw-r-- root/root 3437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w75_n8e.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w7x_d1a.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w8y_ndr.sdf -rw-rw-r-- root/root 1557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w93_py0.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2w98_p1z.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wa3_a29.sdf -rw-rw-r-- root/root 1918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wa4_069.sdf -rw-rw-r-- root/root 3035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2waj_snb.sdf -rw-rw-r-- root/root 3922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wb5_vgb.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wbb_ro3.sdf -rw-rw-r-- root/root 3144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wbd_ro5.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wc3_am3.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wc4_amf.sdf -rw-rw-r-- root/root 2576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wc5_bom.sdf -rw-rw-r-- root/root 3921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wca_np6.sdf -rw-rw-r-- root/root 2592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wcg_mt5.sdf -rw-rw-r-- root/root 2570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wch_b7m.sdf -rw-rw-r-- root/root 2359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wcj_m21.sdf -rw-rw-r-- root/root 2572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wcl_b8m.sdf -rw-rw-r-- root/root 2559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wcm_b9m.sdf -rw-rw-r-- root/root 3509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wd1_zzy.sdf -rw-rw-r-- root/root 3830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wd2_ms5.sdf -rw-rw-r-- root/root 3793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wd3_ms4.sdf -rw-rw-r-- root/root 5201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wea_pp6.sdf -rw-rw-r-- root/root 5170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2web_pp4.sdf -rw-rw-r-- root/root 5152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wec_pp5.sdf -rw-rw-r-- root/root 3827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wel_k88.sdf -rw-rw-r-- root/root 3020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wex_gym.sdf -rw-rw-r-- root/root 2595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wf7_g7p.sdf -rw-rw-r-- root/root 2583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wf8_g1p.sdf -rw-rw-r-- root/root 2388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wge_tlm.sdf -rw-rw-r-- root/root 3704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wh8_ii2.sdf -rw-rw-r-- root/root 2651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2whf_ii4.sdf -rw-rw-r-- root/root 3964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2whi_1az.sdf -rw-rw-r-- root/root 3669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2who_vgi.sdf -rw-rw-r-- root/root 3284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2whq_hi6.sdf -rw-rw-r-- root/root 3198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2whr_k27.sdf -rw-rw-r-- root/root 3596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2whw_1d4.sdf -rw-rw-r-- root/root 3619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wi5_zz5.sdf -rw-rw-r-- root/root 4363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wi7_2kl.sdf -rw-rw-r-- root/root 3487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wi9_1d2.sdf -rw-rw-r-- root/root 2176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wj6_zz8.sdf -rw-rw-r-- root/root 4757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wjp_d17.sdf -rw-rw-r-- root/root 1718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wk6_iur.sdf -rw-rw-r-- root/root 3964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wka_p89.sdf -rw-rw-r-- root/root 5877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wkm_pfy.sdf -rw-rw-r-- root/root 3607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wks_cb6.sdf -rw-rw-r-- root/root 2770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wls_x13.sdf -rw-rw-r-- root/root 3066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wm3_nfl.sdf -rw-rw-r-- root/root 3178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wm4_vgj.sdf -rw-rw-r-- root/root 2711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wmd_zz0.sdf -rw-rw-r-- root/root 1389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wnz_2op.sdf -rw-rw-r-- root/root 2999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wo8_077.sdf -rw-rw-r-- root/root 4012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wo9_023.sdf -rw-rw-r-- root/root 3349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wo9_068.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2woa_576.sdf -rw-rw-r-- root/root 3653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wog_zzd.sdf -rw-rw-r-- root/root 3364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wom_zze.sdf -rw-rw-r-- root/root 3185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wos_6an.sdf -rw-rw-r-- root/root 4614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wot_zzg.sdf -rw-rw-r-- root/root 3725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wou_zzf.sdf -rw-rw-r-- root/root 3393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wp5_wp5.sdf -rw-rw-r-- root/root 3619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wp6_wp6.sdf -rw-rw-r-- root/root 3809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wpa_889.sdf -rw-rw-r-- root/root 2423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wpb_zzi.sdf -rw-rw-r-- root/root 4604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wpc_wp7.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wpe_wpe.sdf -rw-rw-r-- root/root 3663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wpf_wpf.sdf -rw-rw-r-- root/root 4015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wqb_qq1.sdf -rw-rw-r-- root/root 3917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wqo_vgk.sdf -rw-rw-r-- root/root 2981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wr6_odt.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wrm_qq3.sdf -rw-rw-r-- root/root 1852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wsx_nm2.sdf -rw-rw-r-- root/root 3597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wtc_vgm.sdf -rw-rw-r-- root/root 3612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wtd_zzk.sdf -rw-rw-r-- root/root 3658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wti_wti.sdf -rw-rw-r-- root/root 3570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wtj_wtj.sdf -rw-rw-r-- root/root 2916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wu1_fgs.sdf -rw-rw-r-- root/root 3622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wu4_hbp.sdf -rw-rw-r-- root/root 3042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wue_kek.sdf -rw-rw-r-- root/root 3762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wuf_kem.sdf -rw-rw-r-- root/root 3531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wv8_vgn.sdf -rw-rw-r-- root/root 3787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wvg_tpu.sdf -rw-rw-r-- root/root 3643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wwj_y28.sdf -rw-rw-r-- root/root 3291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wx9_nge.sdf -rw-rw-r-- root/root 1621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wxb_dtu.sdf -rw-rw-r-- root/root 3037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wxd_e18.sdf -rw-rw-r-- root/root 5200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wxg_zzn.sdf -rw-rw-r-- root/root 5200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wxh_zzo.sdf -rw-rw-r-- root/root 4741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wxi_s30.sdf -rw-rw-r-- root/root 5572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wxj_rw3.sdf -rw-rw-r-- root/root 5224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wxk_rw4.sdf -rw-rw-r-- root/root 4203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wxl_zs4.sdf -rw-rw-r-- root/root 3172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wxm_zzm.sdf -rw-rw-r-- root/root 3288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wxn_dln.sdf -rw-rw-r-- root/root 4473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wxo_zzp.sdf -rw-rw-r-- root/root 4703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wxq_zzq.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wxv_wxv.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wyc_3la.sdf -rw-rw-r-- root/root 4307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wyg_461.sdf -rw-rw-r-- root/root 2839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wyp_kdn.sdf -rw-rw-r-- root/root 1815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wz0_zzt.sdf -rw-rw-r-- root/root 3245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wz6_zo0.sdf -rw-rw-r-- root/root 1947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wzd_3pg.sdf -rw-rw-r-- root/root 2610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2wzi_5fn.sdf -rw-rw-r-- root/root 2339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x05_x05.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x09_x09.sdf -rw-rw-r-- root/root 3664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x0h_14t.sdf -rw-rw-r-- root/root 2369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x0u_x0u.sdf -rw-rw-r-- root/root 2061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x0v_x0v.sdf -rw-rw-r-- root/root 2303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x0w_x0w.sdf -rw-rw-r-- root/root 2833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x0y_x0t.sdf -rw-rw-r-- root/root 2414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x15_x15.sdf -rw-rw-r-- root/root 2486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x1e_x1e.sdf -rw-rw-r-- root/root 3730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x1h_x1h.sdf -rw-rw-r-- root/root 2985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x2k_x2k.sdf -rw-rw-r-- root/root 3064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x2l_x2l.sdf -rw-rw-r-- root/root 2847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x2m_x2m.sdf -rw-rw-r-- root/root 3551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x2r_x2o.sdf -rw-rw-r-- root/root 2684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x2w_x2w.sdf -rw-rw-r-- root/root 4199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x38_ic8.sdf -rw-rw-r-- root/root 3906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x39_x39.sdf -rw-rw-r-- root/root 2847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x3t_gyv.sdf -rw-rw-r-- root/root 3452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x4f_16x.sdf -rw-rw-r-- root/root 4924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x4z_x4z.sdf -rw-rw-r-- root/root 4732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x5o_vsv.sdf -rw-rw-r-- root/root 2567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x68_cte.sdf -rw-rw-r-- root/root 5081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x6d_x6d.sdf -rw-rw-r-- root/root 4993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x6e_ym4.sdf -rw-rw-r-- root/root 4689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x6o_2tc.sdf -rw-rw-r-- root/root 3079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x7c_kz9.sdf -rw-rw-r-- root/root 3251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x7d_egb.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x7e_x7e.sdf -rw-rw-r-- root/root 3668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x7f_824.sdf -rw-rw-r-- root/root 3030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x7g_pvb.sdf -rw-rw-r-- root/root 2769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x7h_pfn.sdf -rw-rw-r-- root/root 3910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x7s_wzc.sdf -rw-rw-r-- root/root 4371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x7t_wzb.sdf -rw-rw-r-- root/root 3860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x7u_wza.sdf -rw-rw-r-- root/root 3686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x90_eal.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x92_x92.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x93_x93.sdf -rw-rw-r-- root/root 3534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x94_x94.sdf -rw-rw-r-- root/root 4914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x95_x95.sdf -rw-rw-r-- root/root 4862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x97_rx4.sdf -rw-rw-r-- root/root 6495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x9e_sve.sdf -rw-rw-r-- root/root 3847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2x9f_x9f.sdf -rw-rw-r-- root/root 3583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xa4_az5.sdf -rw-rw-r-- root/root 3852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xae_2xa.sdf -rw-rw-r-- root/root 4332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xb5_i7t.sdf -rw-rw-r-- root/root 3384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xb8_xnw.sdf -rw-rw-r-- root/root 4784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xba_571.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xbj_xbj.sdf -rw-rw-r-- root/root 2821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xbl_m7p.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xbv_xbv.sdf -rw-rw-r-- root/root 4988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xbw_455.sdf -rw-rw-r-- root/root 4993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xbx_rr8.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xc3_rt8.sdf -rw-rw-r-- root/root 3475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xca_dgt.sdf -rw-rw-r-- root/root 6247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xcf_bbq.sdf -rw-rw-r-- root/root 4286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xch_ckg.sdf -rw-rw-r-- root/root 5350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xck_mh4.sdf -rw-rw-r-- root/root 3707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xd6_xd6.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xd9_xd9.sdf -rw-rw-r-- root/root 3171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xda_jps.sdf -rw-rw-r-- root/root 2137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xe2_oes.sdf -rw-rw-r-- root/root 8168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xef_ar8.sdf -rw-rw-r-- root/root 6750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xeg_ci9.sdf -rw-rw-r-- root/root 6163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xei_ark.sdf -rw-rw-r-- root/root 5455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xej_okd.sdf -rw-rw-r-- root/root 4788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xg4_xc2.sdf -rw-rw-r-- root/root 4678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xg5_ec2.sdf -rw-rw-r-- root/root 4727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xg5_ec5.sdf -rw-rw-r-- root/root 3906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xh5_x37.sdf -rw-rw-r-- root/root 5037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xhm_k26.sdf -rw-rw-r-- root/root 3620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xhr_c0p.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xi4_aft.sdf -rw-rw-r-- root/root 4662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xir_00j.sdf -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xj1_xj1.sdf -rw-rw-r-- root/root 3629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xj2_985.sdf -rw-rw-r-- root/root 2707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xj7_gc2.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xjx_xjx.sdf -rw-rw-r-- root/root 3431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xk3_xk3.sdf -rw-rw-r-- root/root 4263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xk4_ol2.sdf -rw-rw-r-- root/root 3571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xk6_eqh.sdf -rw-rw-r-- root/root 4243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xk7_30e.sdf -rw-rw-r-- root/root 4154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xk8_5r1.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xk9_xk9.sdf -rw-rw-r-- root/root 4045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xkc_4vq.sdf -rw-rw-r-- root/root 3908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xkd_t3m.sdf -rw-rw-r-- root/root 3513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xke_wi2.sdf -rw-rw-r-- root/root 3955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xkf_bx1.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xkw_p1b.sdf -rw-rw-r-- root/root 2472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xm1_ltm.sdf -rw-rw-r-- root/root 3402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xm8_b4w.sdf -rw-rw-r-- root/root 4028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xm9_lwh.sdf -rw-rw-r-- root/root 4095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xmy_cdk.sdf -rw-rw-r-- root/root 3145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xn5_fun.sdf -rw-rw-r-- root/root 4109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xne_ash.sdf -rw-rw-r-- root/root 4827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xng_a0h.sdf -rw-rw-r-- root/root 5192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xnm_wgz.sdf -rw-rw-r-- root/root 4230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xnn_430.sdf -rw-rw-r-- root/root 5063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xno_ed8.sdf -rw-rw-r-- root/root 5271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xnp_wcx.sdf -rw-rw-r-- root/root 4386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xo8_ad9.sdf -rw-rw-r-- root/root 5611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xog_sfb.sdf -rw-rw-r-- root/root 2453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xp5_4ff.sdf -rw-rw-r-- root/root 2590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xp6_4g2.sdf -rw-rw-r-- root/root 2669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xp7_4f8.sdf -rw-rw-r-- root/root 3272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xp8_4fy.sdf -rw-rw-r-- root/root 3956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xp9_4g8.sdf -rw-rw-r-- root/root 3292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xpa_4g5.sdf -rw-rw-r-- root/root 3746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xpb_4ge.sdf -rw-rw-r-- root/root 5064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xpc_051.sdf -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xpk_z0m.sdf -rw-rw-r-- root/root 4568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xpw_otc.sdf -rw-rw-r-- root/root 1393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xqj_vx.sdf -rw-rw-r-- root/root 4982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xru_400.sdf -rw-rw-r-- root/root 2271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xsh_dc5.sdf -rw-rw-r-- root/root 3663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xsi_9ne.sdf -rw-rw-r-- root/root 3072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xtu_bng.sdf -rw-rw-r-- root/root 4647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xtv_mc3.sdf -rw-rw-r-- root/root 4826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xu3_xu3.sdf -rw-rw-r-- root/root 2695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xud_dme.sdf -rw-rw-r-- root/root 6563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xuf_tz4.sdf -rw-rw-r-- root/root 6565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xuj_tz5.sdf -rw-rw-r-- root/root 5500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xv1_eca.sdf -rw-rw-r-- root/root 4912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xvd_as6.sdf -rw-rw-r-- root/root 2300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xvn_kls.sdf -rw-rw-r-- root/root 3214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xvq_9ds.sdf -rw-rw-r-- root/root 3566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xvu_9dn.sdf -rw-rw-r-- root/root 3904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xvw_9nr.sdf -rw-rw-r-- root/root 3698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xw0_9nf.sdf -rw-rw-r-- root/root 3245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xw1_9nv.sdf -rw-rw-r-- root/root 3340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xwd_lgs.sdf -rw-rw-r-- root/root 3239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xwo_slm.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xx2_13c.sdf -rw-rw-r-- root/root 3151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xx3_tae.sdf -rw-rw-r-- root/root 4069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xx4_13i.sdf -rw-rw-r-- root/root 4649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xx5_13n.sdf -rw-rw-r-- root/root 2618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xya_7l4.sdf -rw-rw-r-- root/root 6775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xyd_3es.sdf -rw-rw-r-- root/root 4438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xyj_wlm.sdf -rw-rw-r-- root/root 3339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xyu_q9g.sdf -rw-rw-r-- root/root 4727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xyw_08s.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xyx_z00.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xzg_vh1.sdf -rw-rw-r-- root/root 2866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xzi_kdm.sdf -rw-rw-r-- root/root 2774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2xzj_kfn.sdf -rw-rw-r-- root/root 3194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y00_y00.sdf -rw-rw-r-- root/root 3811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y02_whj.sdf -rw-rw-r-- root/root 2626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y04_68h.sdf -rw-rw-r-- root/root 3669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y0j_axc.sdf -rw-rw-r-- root/root 2950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y1d_34f.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y1o_t26.sdf -rw-rw-r-- root/root 3977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y1w_849.sdf -rw-rw-r-- root/root 4982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y1x_845.sdf -rw-rw-r-- root/root 3824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y2b_mhi.sdf -rw-rw-r-- root/root 3281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y2f_yi1.sdf -rw-rw-r-- root/root 1794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y2v_me2.sdf -rw-rw-r-- root/root 3025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y37_a54.sdf -rw-rw-r-- root/root 3888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y3i_la8.sdf -rw-rw-r-- root/root 2062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y41_ipm.sdf -rw-rw-r-- root/root 5062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y5f_xwg.sdf -rw-rw-r-- root/root 4566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y5g_fjd.sdf -rw-rw-r-- root/root 4566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y5h_y5h.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y5k_ycu.sdf -rw-rw-r-- root/root 3082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y5l_ro8.sdf -rw-rw-r-- root/root 3704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y60_m8f.sdf -rw-rw-r-- root/root 4727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y66_n04.sdf -rw-rw-r-- root/root 4831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y67_n21.sdf -rw-rw-r-- root/root 4884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y68_t04.sdf -rw-rw-r-- root/root 4097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y6c_tqi.sdf -rw-rw-r-- root/root 4361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y6d_tqj.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y6f_m9f.sdf -rw-rw-r-- root/root 4667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y76_cb7.sdf -rw-rw-r-- root/root 4188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y77_cb8.sdf -rw-rw-r-- root/root 4518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y7x_mza.sdf -rw-rw-r-- root/root 4643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y7z_c0z.sdf -rw-rw-r-- root/root 4622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y81_931.sdf -rw-rw-r-- root/root 5209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y88_2er.sdf -rw-rw-r-- root/root 1712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2y91_98j.sdf -rw-rw-r-- root/root 5203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yac_937.sdf -rw-rw-r-- root/root 5311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yak_osv.sdf -rw-rw-r-- root/root 4415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yb9_ha0.sdf -rw-rw-r-- root/root 1832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ybs_s2g.sdf -rw-rw-r-- root/root 4185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ybt_dw0.sdf -rw-rw-r-- root/root 4089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ybu_cx9.sdf -rw-rw-r-- root/root 2821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yc3_mw5.sdf -rw-rw-r-- root/root 5218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yca_zm3.sdf -rw-rw-r-- root/root 4564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ycf_ycf.sdf -rw-rw-r-- root/root 3177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ycm_30a.sdf -rw-rw-r-- root/root 4173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ycn_p61.sdf -rw-rw-r-- root/root 4267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ycq_upx.sdf -rw-rw-r-- root/root 4673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ycr_hcw.sdf -rw-rw-r-- root/root 3638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ycs_nxp.sdf -rw-rw-r-- root/root 1509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yct_9po.sdf -rw-rw-r-- root/root 3220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yct_pli.sdf -rw-rw-r-- root/root 3278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ycw_cau.sdf -rw-rw-r-- root/root 3303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ycz_i32.sdf -rw-rw-r-- root/root 2630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ydf_io3.sdf -rw-rw-r-- root/root 3505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ydi_ydi.sdf -rw-rw-r-- root/root 3659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ydj_ydj.sdf -rw-rw-r-- root/root 3555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ydk_ydk.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ydm_slc.sdf -rw-rw-r-- root/root 2582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ydu_79w.sdf -rw-rw-r-- root/root 2212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ydv_nec.sdf -rw-rw-r-- root/root 4450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ydw_wsh.sdf -rw-rw-r-- root/root 3822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ye9_2d4.sdf -rw-rw-r-- root/root 4267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yek_eam.sdf -rw-rw-r-- root/root 3514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yfe_yfe.sdf -rw-rw-r-- root/root 2151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yfj_1it.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yfl_dc4.sdf -rw-rw-r-- root/root 3577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yg2_s1p.sdf -rw-rw-r-- root/root 4675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yid_td7.sdf -rw-rw-r-- root/root 4698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yig_5el.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yiq_yiq.sdf -rw-rw-r-- root/root 4300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yir_yir.sdf -rw-rw-r-- root/root 4099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yit_yit.sdf -rw-rw-r-- root/root 3761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yix_yix.sdf -rw-rw-r-- root/root 4554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yiy_yiy.sdf -rw-rw-r-- root/root 2981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yjd_yjd.sdf -rw-rw-r-- root/root 4223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ykb_ykb.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ykc_ykc.sdf -rw-rw-r-- root/root 4803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yke_yke.sdf -rw-rw-r-- root/root 4747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yki_yki.sdf -rw-rw-r-- root/root 4472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ykj_ykj.sdf -rw-rw-r-- root/root 3038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ykm_ykn.sdf -rw-rw-r-- root/root 4043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ylo_ylo.sdf -rw-rw-r-- root/root 3008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ylp_056.sdf -rw-rw-r-- root/root 3606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ylq_ylq.sdf -rw-rw-r-- root/root 3546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yly_su4.sdf -rw-rw-r-- root/root 4283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ym4_4ym.sdf -rw-rw-r-- root/root 3707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ym5_ym5.sdf -rw-rw-r-- root/root 3908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ym8_ym8.sdf -rw-rw-r-- root/root 4175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ynf_whu.sdf -rw-rw-r-- root/root 4297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ynh_eur.sdf -rw-rw-r-- root/root 4042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yni_cxd.sdf -rw-rw-r-- root/root 5014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yoj_8y6.sdf -rw-rw-r-- root/root 5605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yol_ebn.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ypu_i41.sdf -rw-rw-r-- root/root 2440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yvk_mru.sdf -rw-rw-r-- root/root 3335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ywp_a42.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yxj_n3c.sdf -rw-rw-r-- root/root 2558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yxn_azy.sdf -rw-rw-r-- root/root 3844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yy1_nlc.sdf -rw-rw-r-- root/root 1630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2yze_nob.sdf -rw-rw-r-- root/root 4761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z0p_4pt.sdf -rw-rw-r-- root/root 2027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z24_dor.sdf -rw-rw-r-- root/root 6249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z2p_dol.sdf -rw-rw-r-- root/root 3998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z2w_770.sdf -rw-rw-r-- root/root 4393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z3h_blo.sdf -rw-rw-r-- root/root 4223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z3i_bls.sdf -rw-rw-r-- root/root 8321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z3y_f2n.sdf -rw-rw-r-- root/root 3478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z4b_dc8.sdf -rw-rw-r-- root/root 4064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z4w_749.sdf -rw-rw-r-- root/root 2738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z4x_252.sdf -rw-rw-r-- root/root 3552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z4z_sc0.sdf -rw-rw-r-- root/root 2524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z50_028.sdf -rw-rw-r-- root/root 3067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z52_h23.sdf -rw-rw-r-- root/root 7883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z5u_faj.sdf -rw-rw-r-- root/root 3963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z60_p3y.sdf -rw-rw-r-- root/root 3283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z68_til.sdf -rw-rw-r-- root/root 2599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z6q_dcz.sdf -rw-rw-r-- root/root 3645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z71_pnv.sdf -rw-rw-r-- root/root 4733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z78_h86.sdf -rw-rw-r-- root/root 3493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z7h_gg3.sdf -rw-rw-r-- root/root 3526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z7i_742.sdf -rw-rw-r-- root/root 2619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z7k_bgu.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z7l_s91.sdf -rw-rw-r-- root/root 1726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z94_tld.sdf -rw-rw-r-- root/root 1313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z9k_doz.sdf -rw-rw-r-- root/root 1012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z9l_daz.sdf -rw-rw-r-- root/root 2113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z9v_pxm.sdf -rw-rw-r-- root/root 3799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2z9z_ddr.sdf -rw-rw-r-- root/root 3233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2za0_mgi.sdf -rw-rw-r-- root/root 4346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2za5_2ff.sdf -rw-rw-r-- root/root 2551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zas_1oh.sdf -rw-rw-r-- root/root 3737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zaz_gk1.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zb0_gk3.sdf -rw-rw-r-- root/root 3758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zb1_gk4.sdf -rw-rw-r-- root/root 2036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zb4_5op.sdf -rw-rw-r-- root/root 3704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zbh_bvl.sdf -rw-rw-r-- root/root 3607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zcq_b65.sdf -rw-rw-r-- root/root 3909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zcr_b69.sdf -rw-rw-r-- root/root 3477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zcs_b70.sdf -rw-rw-r-- root/root 3895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zdn_49u.sdf -rw-rw-r-- root/root 4398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zdt_46c.sdf -rw-rw-r-- root/root 5016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zdu_446.sdf -rw-rw-r-- root/root 3324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zdx_p4a.sdf -rw-rw-r-- root/root 4625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ze1_411.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ze6_dst.sdf -rw-rw-r-- root/root 4161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zeb_11m.sdf -rw-rw-r-- root/root 3745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zec_11n.sdf -rw-rw-r-- root/root 3847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zeu_b71.sdf -rw-rw-r-- root/root 4184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zfs_12u.sdf -rw-rw-r-- root/root 4653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zfx_yr3.sdf -rw-rw-r-- root/root 3358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zga_ydp.sdf -rw-rw-r-- root/root 2887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zi5_3l1.sdf -rw-rw-r-- root/root 2888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zi6_3d1.sdf -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zi8_sdt.sdf -rw-rw-r-- root/root 2942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zia_cl9.sdf -rw-rw-r-- root/root 5302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zir_nh7.sdf -rw-rw-r-- root/root 4938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zis_nh8.sdf -rw-rw-r-- root/root 2961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ziz_ad3.sdf -rw-rw-r-- root/root 2495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zjf_bsu.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zjv_ct4.sdf -rw-rw-r-- root/root 3263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zjw_ref.sdf -rw-rw-r-- root/root 4092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zk6_c08.sdf -rw-rw-r-- root/root 3011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zkc_bpz.sdf -rw-rw-r-- root/root 4891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zl9_vda.sdf -rw-rw-r-- root/root 4901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zla_vdb.sdf -rw-rw-r-- root/root 9572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zlg_mrt.sdf -rw-rw-r-- root/root 3362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zm1_ksf.sdf -rw-rw-r-- root/root 3899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zm3_575.sdf -rw-rw-r-- root/root 4147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zm4_ksm.sdf -rw-rw-r-- root/root 3709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zmb_pxb.sdf -rw-rw-r-- root/root 5277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zmh_nya.sdf -rw-rw-r-- root/root 5384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zmi_tt2.sdf -rw-rw-r-- root/root 5491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zmj_mi4.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zmm_35b.sdf -rw-rw-r-- root/root 4793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zn7_410.sdf -rw-rw-r-- root/root 5144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zno_s44.sdf -rw-rw-r-- root/root 4625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2znp_k55.sdf -rw-rw-r-- root/root 4304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2znq_401.sdf -rw-rw-r-- root/root 3188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zoq_5id.sdf -rw-rw-r-- root/root 3167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zox_png.sdf -rw-rw-r-- root/root 5153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zp0_pi0.sdf -rw-rw-r-- root/root 2304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zp1_iyr.sdf -rw-rw-r-- root/root 4291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zq2_13u.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zsi_ga4.sdf -rw-rw-r-- root/root 4658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zt5_b4p.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zt8_drv.sdf -rw-rw-r-- root/root 1031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2ztx_dtz.sdf -rw-rw-r-- root/root 3459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zv2_609.sdf -rw-rw-r-- root/root 2890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zvj_kom.sdf -rw-rw-r-- root/root 5552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zwl_567.sdf -rw-rw-r-- root/root 2307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zxc_2ed.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zxg_s23.sdf -rw-rw-r-- root/root 4546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zxm_jb1.sdf -rw-rw-r-- root/root 4545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zxn_jc1.sdf -rw-rw-r-- root/root 3840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zxz_p26.sdf -rw-rw-r-- root/root 3878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zy0_21p.sdf -rw-rw-r-- root/root 3452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zy1_830.sdf -rw-rw-r-- root/root 3473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zyb_ksl.sdf -rw-rw-r-- root/root 4351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zyu_pps.sdf -rw-rw-r-- root/root 3408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zz2_6cn.sdf -rw-rw-r-- root/root 6599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/2zzu_359.sdf -rw-rw-r-- root/root 4384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a0i_aji.sdf -rw-rw-r-- root/root 2975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a29_2t0.sdf -rw-rw-r-- root/root 3984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a2c_pdy.sdf -rw-rw-r-- root/root 4546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a2i_tej.sdf -rw-rw-r-- root/root 4794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a3z_2mv.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a40_23r.sdf -rw-rw-r-- root/root 4092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a4p_dfq.sdf -rw-rw-r-- root/root 4139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a50_vd3.sdf -rw-rw-r-- root/root 3531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a73_pj2.sdf -rw-rw-r-- root/root 1868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a74_lyn.sdf -rw-rw-r-- root/root 4357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a78_3ev.sdf -rw-rw-r-- root/root 5392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a7d_fbn.sdf -rw-rw-r-- root/root 4762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a7r_laq.sdf -rw-rw-r-- root/root 2935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a7y_o13.sdf -rw-rw-r-- root/root 2911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a7z_o14.sdf -rw-rw-r-- root/root 2773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a8b_br6.sdf -rw-rw-r-- root/root 4094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3a9e_754.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3aau_gzc.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3aav_a2c.sdf -rw-rw-r-- root/root 8682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3abt_2pf.sdf -rw-rw-r-- root/root 9425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3abu_12f.sdf -rw-rw-r-- root/root 4002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ac1_kzi.sdf -rw-rw-r-- root/root 4237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ac2_kse.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ac3_ksh.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ac4_kzl.sdf -rw-rw-r-- root/root 5229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ac5_kzm.sdf -rw-rw-r-- root/root 4483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ac8_ksk.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3acj_kss.sdf -rw-rw-r-- root/root 3155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ack_ksr.sdf -rw-rw-r-- root/root 3914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3acl_3f1.sdf -rw-rw-r-- root/root 3162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3acw_651.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3acx_673.sdf -rw-rw-r-- root/root 4416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3acy_702.sdf -rw-rw-r-- root/root 2999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ad4_kbm.sdf -rw-rw-r-- root/root 4321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ad5_5pb.sdf -rw-rw-r-- root/root 3919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ad6_ksc.sdf -rw-rw-r-- root/root 2906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3aez_paz.sdf -rw-rw-r-- root/root 4502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3af4_gcp.sdf -rw-rw-r-- root/root 4922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3afr_icj.sdf -rw-rw-r-- root/root 6440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3aga_rcc.sdf -rw-rw-r-- root/root 2296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ai8_hnq.sdf -rw-rw-r-- root/root 5968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ajh_bl3.sdf -rw-rw-r-- root/root 1776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3akg_ahr.sdf -rw-rw-r-- root/root 2171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3aki_ah8.sdf -rw-rw-r-- root/root 4144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3akn_11d.sdf -rw-rw-r-- root/root 3364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3am9_fyo.sdf -rw-rw-r-- root/root 1957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3anl_syc.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3anm_syd.sdf -rw-rw-r-- root/root 2422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ann_sye.sdf -rw-rw-r-- root/root 2580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3anq_ehb.sdf -rw-rw-r-- root/root 2602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3anr_hrm.sdf -rw-rw-r-- root/root 3030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ans_s38.sdf -rw-rw-r-- root/root 3810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ant_s82.sdf -rw-rw-r-- root/root 2699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ao2_avx.sdf -rw-rw-r-- root/root 2811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ao3_bmc.sdf -rw-rw-r-- root/root 2564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ao4_833.sdf -rw-rw-r-- root/root 2715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ao5_bby.sdf -rw-rw-r-- root/root 6700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3aoc_ery.sdf -rw-rw-r-- root/root 4932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3aox_emh.sdf -rw-rw-r-- root/root 3780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3apc_mmd.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3apd_mmy.sdf -rw-rw-r-- root/root 4375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3apf_bmw.sdf -rw-rw-r-- root/root 3099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3apv_tp0.sdf -rw-rw-r-- root/root 3586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3apw_dp0.sdf -rw-rw-r-- root/root 3141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3apx_z80.sdf -rw-rw-r-- root/root 2349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3aq0_isy.sdf -rw-rw-r-- root/root 3430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3aqa_byh.sdf -rw-rw-r-- root/root 3348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3aqc_2de.sdf -rw-rw-r-- root/root 6249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ar7_tg1.sdf -rw-rw-r-- root/root 4574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ara_mkh.sdf -rw-rw-r-- root/root 3734 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3arn_msj.sdf -rw-rw-r-- root/root 2051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3asj_xym.sdf -rw-rw-r-- root/root 2007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3asj_xyn.sdf -rw-rw-r-- root/root 2191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ask_m3l.sdf -rw-rw-r-- root/root 5071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3asx_d99.sdf -rw-rw-r-- root/root 4218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3at3_atk.sdf -rw-rw-r-- root/root 3977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3at4_cck.sdf -rw-rw-r-- root/root 1976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3au9_fom.sdf -rw-rw-r-- root/root 2073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3aua_f98.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3aun_yr4.sdf -rw-rw-r-- root/root 4366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3aur_ca9.sdf -rw-rw-r-- root/root 2333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3avp_mv2.sdf -rw-rw-r-- root/root 3436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3avq_mv1.sdf -rw-rw-r-- root/root 4090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ax7_xax.sdf -rw-rw-r-- root/root 4667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ax8_eim.sdf -rw-rw-r-- root/root 2441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3axw_tid.sdf -rw-rw-r-- root/root 4411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3az1_ds2.sdf -rw-rw-r-- root/root 4745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3az2_ds3.sdf -rw-rw-r-- root/root 4907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3az3_ds6.sdf -rw-rw-r-- root/root 6217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b03_vnr.sdf -rw-rw-r-- root/root 6353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b04_oop.sdf -rw-rw-r-- root/root 4460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b05_fnr.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b0q_mc5.sdf -rw-rw-r-- root/root 4353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b0t_mcz.sdf -rw-rw-r-- root/root 5450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b0w_dgx.sdf -rw-rw-r-- root/root 5182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b1m_krc.sdf -rw-rw-r-- root/root 1893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b29_lsm.sdf -rw-rw-r-- root/root 3943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b2t_m33.sdf -rw-rw-r-- root/root 5958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b2w_9nh.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b3o_ji3.sdf -rw-rw-r-- root/root 3930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b3p_ji7.sdf -rw-rw-r-- root/root 2164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b3x_a33.sdf -rw-rw-r-- root/root 3543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b5b_ndn.sdf -rw-rw-r-- root/root 3978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b5r_b5r.sdf -rw-rw-r-- root/root 3597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b65_3b6.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b66_b66.sdf -rw-rw-r-- root/root 4428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b67_b67.sdf -rw-rw-r-- root/root 4326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b68_b68.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b6h_mxd.sdf -rw-rw-r-- root/root 2670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b7d_cni.sdf -rw-rw-r-- root/root 2185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b7j_jug.sdf -rw-rw-r-- root/root 3165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b7u_kel.sdf -rw-rw-r-- root/root 4738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b8q_900.sdf -rw-rw-r-- root/root 4302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b8r_887.sdf -rw-rw-r-- root/root 7190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b8x_g4m.sdf -rw-rw-r-- root/root 4173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b8z_294.sdf -rw-rw-r-- root/root 2733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b92_440.sdf -rw-rw-r-- root/root 3637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b99_u51.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b9j_290.sdf -rw-rw-r-- root/root 2988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b9m_azz.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3b9x_nos.sdf -rw-rw-r-- root/root 3114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ba8_3b8.sdf -rw-rw-r-- root/root 4403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ba9_3b9.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3baa_3ba.sdf -rw-rw-r-- root/root 4212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bab_3bd.sdf -rw-rw-r-- root/root 5387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bbt_fmm.sdf -rw-rw-r-- root/root 7655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bc3_opt.sdf -rw-rw-r-- root/root 5103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bc5_zaa.sdf -rw-rw-r-- root/root 1982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bdj_141.sdf -rw-rw-r-- root/root 2049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bdk_dno.sdf -rw-rw-r-- root/root 5218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3be2_raj.sdf -rw-rw-r-- root/root 3881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3be9_p04.sdf -rw-rw-r-- root/root 5238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bea_ixh.sdf -rw-rw-r-- root/root 4462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bej_muf.sdf -rw-rw-r-- root/root 4438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bel_pox.sdf -rw-rw-r-- root/root 3764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ben_leh.sdf -rw-rw-r-- root/root 4205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bet_ctf.sdf -rw-rw-r-- root/root 3442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bfi_ndu.sdf -rw-rw-r-- root/root 4833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bg8_inh.sdf -rw-rw-r-- root/root 4723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bgb_ljg.sdf -rw-rw-r-- root/root 5390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bgc_ljh.sdf -rw-rw-r-- root/root 5483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bgl_rid.sdf -rw-rw-r-- root/root 3379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bgp_vx1.sdf -rw-rw-r-- root/root 3746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bgq_vx2.sdf -rw-rw-r-- root/root 4669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bgx_mef.sdf -rw-rw-r-- root/root 3442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bgz_vx3.sdf -rw-rw-r-- root/root 4187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bhe_bzn.sdf -rw-rw-r-- root/root 3922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bhh_5cp.sdf -rw-rw-r-- root/root 3147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bhm_ab3.sdf -rw-rw-r-- root/root 3347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bhm_ahe.sdf -rw-rw-r-- root/root 2783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bhx_bhx.sdf -rw-rw-r-- root/root 5790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bi1_3bi.sdf -rw-rw-r-- root/root 2203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bi2_297.sdf -rw-rw-r-- root/root 2349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bi4_298.sdf -rw-rw-r-- root/root 1819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bi5_dia.sdf -rw-rw-r-- root/root 5072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bi6_396.sdf -rw-rw-r-- root/root 4697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3biz_61e.sdf -rw-rw-r-- root/root 3782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bjc_wan.sdf -rw-rw-r-- root/root 3474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bk0_cnu.sdf -rw-rw-r-- root/root 2647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bki_fqx.sdf -rw-rw-r-- root/root 4856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bkk_kaf.sdf -rw-rw-r-- root/root 5220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bkl_kaw.sdf -rw-rw-r-- root/root 3553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bl1_bl1.sdf -rw-rw-r-- root/root 3953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bl7_dd1.sdf -rw-rw-r-- root/root 4077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bl9_dd2.sdf -rw-rw-r-- root/root 3251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bla_dd3.sdf -rw-rw-r-- root/root 2175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3blb_swa.sdf -rw-rw-r-- root/root 3078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bll_bpq.sdf -rw-rw-r-- root/root 4337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3blq_atp.sdf -rw-rw-r-- root/root 4035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3blr_cpb.sdf -rw-rw-r-- root/root 3843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bmy_cxz.sdf -rw-rw-r-- root/root 2574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bnm_spj.sdf -rw-rw-r-- root/root 939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bnu_spz.sdf -rw-rw-r-- root/root 3012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bnz_c16.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bpr_olp.sdf -rw-rw-r-- root/root 5314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bqd_day.sdf -rw-rw-r-- root/root 2338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bqf_ssm.sdf -rw-rw-r-- root/root 4396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bqm_bqm.sdf -rw-rw-r-- root/root 5201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bqn_bqn.sdf -rw-rw-r-- root/root 3542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bqr_4rb.sdf -rw-rw-r-- root/root 3563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3br0_mgr.sdf -rw-rw-r-- root/root 5141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3br9_dey.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bsa_1pd.sdf -rw-rw-r-- root/root 4693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bsc_2pd.sdf -rw-rw-r-- root/root 4583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3btj_deq.sdf -rw-rw-r-- root/root 1836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bto_ssb.sdf -rw-rw-r-- root/root 3669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bvt_wz1.sdf -rw-rw-r-- root/root 5049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bvu_wz2.sdf -rw-rw-r-- root/root 4950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bvv_wz3.sdf -rw-rw-r-- root/root 8214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bvw_wz4.sdf -rw-rw-r-- root/root 8196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bvx_wz5.sdf -rw-rw-r-- root/root 2570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bxg_bg6.sdf -rw-rw-r-- root/root 4737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bym_am0.sdf -rw-rw-r-- root/root 5277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3byo_am9.sdf -rw-rw-r-- root/root 5716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bys_am5.sdf -rw-rw-r-- root/root 5828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3byu_am6.sdf -rw-rw-r-- root/root 3583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3byx_c00.sdf -rw-rw-r-- root/root 2916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3byz_h11.sdf -rw-rw-r-- root/root 3401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bz7_bl4.sdf -rw-rw-r-- root/root 3402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bz8_bl6.sdf -rw-rw-r-- root/root 3265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bz9_bl7.sdf -rw-rw-r-- root/root 3209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3bzu_a21.sdf -rw-rw-r-- root/root 2912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c06_14c.sdf -rw-rw-r-- root/root 5162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c1k_t15.sdf -rw-rw-r-- root/root 5310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c1x_ckk.sdf -rw-rw-r-- root/root 2635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c2y_s60.sdf -rw-rw-r-- root/root 2065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c3u_c2u.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c43_315.sdf -rw-rw-r-- root/root 4327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c45_317.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c49_ku8.sdf -rw-rw-r-- root/root 2547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c4e_c4e.sdf -rw-rw-r-- root/root 2785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c4f_c4f.sdf -rw-rw-r-- root/root 2153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c4h_drl.sdf -rw-rw-r-- root/root 2771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c56_ph4.sdf -rw-rw-r-- root/root 3847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c6n_2s8.sdf -rw-rw-r-- root/root 2564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c6p_2s3.sdf -rw-rw-r-- root/root 4605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c6t_m14.sdf -rw-rw-r-- root/root 3939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c6u_m22.sdf -rw-rw-r-- root/root 5937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c72_cx1.sdf -rw-rw-r-- root/root 4950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c7i_tvn.sdf -rw-rw-r-- root/root 4716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c7p_pof.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3c9t_tps.sdf -rw-rw-r-- root/root 1472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cak_efs.sdf -rw-rw-r-- root/root 3479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cav_ci2.sdf -rw-rw-r-- root/root 3751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cbf_n5f.sdf -rw-rw-r-- root/root 4718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cbl_stu.sdf -rw-rw-r-- root/root 3873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cbp_sfg.sdf -rw-rw-r-- root/root 3288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cbs_r12.sdf -rw-rw-r-- root/root 2267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ccb_b2y.sdf -rw-rw-r-- root/root 3160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ccc_7ac.sdf -rw-rw-r-- root/root 3355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ccn_lkg.sdf -rw-rw-r-- root/root 5602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cct_3hi.sdf -rw-rw-r-- root/root 4901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ccw_4hi.sdf -rw-rw-r-- root/root 5175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ccz_5hi.sdf -rw-rw-r-- root/root 5031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cd0_6hi.sdf -rw-rw-r-- root/root 5177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cd5_7hi.sdf -rw-rw-r-- root/root 4053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cd8_l5g.sdf -rw-rw-r-- root/root 5951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cda_8hi.sdf -rw-rw-r-- root/root 6048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cdb_9hi.sdf -rw-rw-r-- root/root 5004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cde_n3h.sdf -rw-rw-r-- root/root 4702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ce3_1fn.sdf -rw-rw-r-- root/root 4138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ceh_ave.sdf -rw-rw-r-- root/root 4438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cej_avf.sdf -rw-rw-r-- root/root 4694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cem_avd.sdf -rw-rw-r-- root/root 4591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cen_fxa.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cf6_sp1.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cf9_agi.sdf -rw-rw-r-- root/root 3479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cfl_5ch.sdf -rw-rw-r-- root/root 3395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cgf_jnf.sdf -rw-rw-r-- root/root 3904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cgo_jno.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ch6_311.sdf -rw-rw-r-- root/root 1737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ch9_xrg.sdf -rw-rw-r-- root/root 3044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3chc_zrg.sdf -rw-rw-r-- root/root 4366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3chd_wrg.sdf -rw-rw-r-- root/root 2898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cho_4bg.sdf -rw-rw-r-- root/root 3366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3chp_4bo.sdf -rw-rw-r-- root/root 3515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3chq_4bq.sdf -rw-rw-r-- root/root 3090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3chr_4bs.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3chs_4bu.sdf -rw-rw-r-- root/root 2430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cj0_sx2.sdf -rw-rw-r-- root/root 2829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cj2_sx3.sdf -rw-rw-r-- root/root 3416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cj3_sx4.sdf -rw-rw-r-- root/root 3656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cj4_sx5.sdf -rw-rw-r-- root/root 4224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cj5_sx6.sdf -rw-rw-r-- root/root 4183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cjf_sav.sdf -rw-rw-r-- root/root 4310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cjg_kim.sdf -rw-rw-r-- root/root 4661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cjo_k30.sdf -rw-rw-r-- root/root 1842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cjt_2mm.sdf -rw-rw-r-- root/root 3733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cke_fdf.sdf -rw-rw-r-- root/root 5263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cld_gw6.sdf -rw-rw-r-- root/root 5148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cm2_x23.sdf -rw-rw-r-- root/root 5153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cm7_x22.sdf -rw-rw-r-- root/root 1929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cmp_dbh.sdf -rw-rw-r-- root/root 6248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cmp_eb4.sdf -rw-rw-r-- root/root 1818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cn8_spd.sdf -rw-rw-r-- root/root 2338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cnp_sp7.sdf -rw-rw-r-- root/root 2910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cns_sp8.sdf -rw-rw-r-- root/root 2909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cnt_sp9.sdf -rw-rw-r-- root/root 4806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3co9_3ms.sdf -rw-rw-r-- root/root 3829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3coh_83h.sdf -rw-rw-r-- root/root 4414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cow_52h.sdf -rw-rw-r-- root/root 4382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3coy_53h.sdf -rw-rw-r-- root/root 4259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3coz_54h.sdf -rw-rw-r-- root/root 2762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cp6_rsx.sdf -rw-rw-r-- root/root 4221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cp9_c19.sdf -rw-rw-r-- root/root 3853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cpb_c92.sdf -rw-rw-r-- root/root 4061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cpc_c52.sdf -rw-rw-r-- root/root 1568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cpo_fp2.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cqe_p91.sdf -rw-rw-r-- root/root 3315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cqu_cqu.sdf -rw-rw-r-- root/root 3032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cqw_cqw.sdf -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cr0_809.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cr5_pnt.sdf -rw-rw-r-- root/root 1925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3crb_cou.sdf -rw-rw-r-- root/root 4649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cs4_cov.sdf -rw-rw-r-- root/root 4620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cs6_0co.sdf -rw-rw-r-- root/root 2825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3csj_cbl.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cso_xni.sdf -rw-rw-r-- root/root 4082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cth_319.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ctj_320.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ctt_3cu.sdf -rw-rw-r-- root/root 3272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cuf_9mr.sdf -rw-rw-r-- root/root 6002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cug_g3i.sdf -rw-rw-r-- root/root 4648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cuh_g2i.sdf -rw-rw-r-- root/root 5232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cui_x4s.sdf -rw-rw-r-- root/root 6346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cuj_x5s.sdf -rw-rw-r-- root/root 1981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cuk_4p5.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cuw_445.sdf -rw-rw-r-- root/root 7578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cv5_m5s.sdf -rw-rw-r-- root/root 2990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cv6_hxs.sdf -rw-rw-r-- root/root 5004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cvk_n34.sdf -rw-rw-r-- root/root 3298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cwd_lna.sdf -rw-rw-r-- root/root 4197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cwe_825.sdf -rw-rw-r-- root/root 4853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cwj_321.sdf -rw-rw-r-- root/root 4083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cx9_lpx.sdf -rw-rw-r-- root/root 2063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cxo_1n5.sdf -rw-rw-r-- root/root 1989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cxo_3lr.sdf -rw-rw-r-- root/root 3734 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cxw_7cp.sdf -rw-rw-r-- root/root 3496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cy2_mb9.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cy3_jn5.sdf -rw-rw-r-- root/root 4232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3cyl_vit.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3czh_d2v.sdf -rw-rw-r-- root/root 10972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3czn_m5g.sdf -rw-rw-r-- root/root 4087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3czr_3cz.sdf -rw-rw-r-- root/root 2895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3czy_ad8.sdf -rw-rw-r-- root/root 3175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d04_sak.sdf -rw-rw-r-- root/root 3968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d0b_snx.sdf -rw-rw-r-- root/root 4398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d0e_g93.sdf -rw-rw-r-- root/root 4350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d14_ak1.sdf -rw-rw-r-- root/root 4005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d15_ak2.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d1g_322.sdf -rw-rw-r-- root/root 2104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d1v_d1v.sdf -rw-rw-r-- root/root 2420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d27_w29.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d28_b34.sdf -rw-rw-r-- root/root 4482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d2i_ak3.sdf -rw-rw-r-- root/root 4503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d2k_ak4.sdf -rw-rw-r-- root/root 4374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d3e_d3e.sdf -rw-rw-r-- root/root 4086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d3p_20a.sdf -rw-rw-r-- root/root 6020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d4b_dzd.sdf -rw-rw-r-- root/root 3720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d4l_605.sdf -rw-rw-r-- root/root 4313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d4n_d4n.sdf -rw-rw-r-- root/root 4025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d4q_sm5.sdf -rw-rw-r-- root/root 4024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d4s_clr.sdf -rw-rw-r-- root/root 3190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d4s_tim.sdf -rw-rw-r-- root/root 2450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d4y_mvl.sdf -rw-rw-r-- root/root 3035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d50_oev.sdf -rw-rw-r-- root/root 3481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d52_ghr.sdf -rw-rw-r-- root/root 4001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d5f_l41.sdf -rw-rw-r-- root/root 5293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d5m_4ms.sdf -rw-rw-r-- root/root 4104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d5q_t30.sdf -rw-rw-r-- root/root 3432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d6o_u1s.sdf -rw-rw-r-- root/root 3349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d6p_u2s.sdf -rw-rw-r-- root/root 3358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d6q_u3s.sdf -rw-rw-r-- root/root 2949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d6u_t11.sdf -rw-rw-r-- root/root 2671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d6v_tfq.sdf -rw-rw-r-- root/root 3524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d6y_ber.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d7b_u4s.sdf -rw-rw-r-- root/root 3941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d7d_fbd.sdf -rw-rw-r-- root/root 3830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d7f_yby.sdf -rw-rw-r-- root/root 3117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d7g_mud.sdf -rw-rw-r-- root/root 4379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d7h_yc2.sdf -rw-rw-r-- root/root 3837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d7z_gk5.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d80_q22.sdf -rw-rw-r-- root/root 3299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d8y_t3s.sdf -rw-rw-r-- root/root 3293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d8z_txs.sdf -rw-rw-r-- root/root 3505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d90_nog.sdf -rw-rw-r-- root/root 5971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d91_rem.sdf -rw-rw-r-- root/root 5032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d94_d94.sdf -rw-rw-r-- root/root 1686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d9d_n6c.sdf -rw-rw-r-- root/root 1898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3d9e_n8c.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3da2_4md.sdf -rw-rw-r-- root/root 4917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3da6_bz9.sdf -rw-rw-r-- root/root 4240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3daj_fxg.sdf -rw-rw-r-- root/root 2389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dap_da3.sdf -rw-rw-r-- root/root 3097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dbm_ho2.sdf -rw-rw-r-- root/root 3304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dbp_nup.sdf -rw-rw-r-- root/root 4825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dbs_gd9.sdf -rw-rw-r-- root/root 4904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dct_064.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dcu_o62.sdf -rw-rw-r-- root/root 3125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dcv_55e.sdf -rw-rw-r-- root/root 5026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dd1_25d.sdf -rw-rw-r-- root/root 3499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dd8_2c7.sdf -rw-rw-r-- root/root 3005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ddf_gb6.sdf -rw-rw-r-- root/root 3125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ddg_gb7.sdf -rw-rw-r-- root/root 1963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ddn_hpv.sdf -rw-rw-r-- root/root 5035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dds_26b.sdf -rw-rw-r-- root/root 3920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ddu_552.sdf -rw-rw-r-- root/root 4805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ddw_055.sdf -rw-rw-r-- root/root 2565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dea_hzh.sdf -rw-rw-r-- root/root 2183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3deh_rxa.sdf -rw-rw-r-- root/root 3869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dei_rxb.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dej_rxc.sdf -rw-rw-r-- root/root 4306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dek_rxd.sdf -rw-rw-r-- root/root 3821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3df9_df9.sdf -rw-rw-r-- root/root 2713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dg8_rj6.sdf -rw-rw-r-- root/root 2879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dga_rj1.sdf -rw-rw-r-- root/root 2836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dgq_eaa.sdf -rw-rw-r-- root/root 3959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dgr_a12.sdf -rw-rw-r-- root/root 3346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dh8_b4n.sdf -rw-rw-r-- root/root 2382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dha_c6l.sdf -rw-rw-r-- root/root 2389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dhc_cyk.sdf -rw-rw-r-- root/root 3783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dho_b2m.sdf -rw-rw-r-- root/root 3188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dhy_3dh.sdf -rw-rw-r-- root/root 3367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3di6_pdz.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dj5_ak5.sdf -rw-rw-r-- root/root 4552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dj6_ak6.sdf -rw-rw-r-- root/root 4235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dj7_ak7.sdf -rw-rw-r-- root/root 2133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dj8_exy.sdf -rw-rw-r-- root/root 5157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3djk_g55.sdf -rw-rw-r-- root/root 5490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dk1_g05.sdf -rw-rw-r-- root/root 4060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dk3_sx7.sdf -rw-rw-r-- root/root 3743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dkf_sx8.sdf -rw-rw-r-- root/root 1685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dkl_unu.sdf -rw-rw-r-- root/root 4194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dko_ihz.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dl9_v2h.sdf -rw-rw-r-- root/root 3667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dle_gfa.sdf -rw-rw-r-- root/root 4793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dlg_gwe.sdf -rw-rw-r-- root/root 2911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dn5_53n.sdf -rw-rw-r-- root/root 2215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dnd_ll2.sdf -rw-rw-r-- root/root 2408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dne_ll1.sdf -rw-rw-r-- root/root 4714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dng_axa.sdf -rw-rw-r-- root/root 3777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dog_nnn.sdf -rw-rw-r-- root/root 4637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dok_gwj.sdf -rw-rw-r-- root/root 5098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dol_gwi.sdf -rw-rw-r-- root/root 3302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dop_bdt.sdf -rw-rw-r-- root/root 3292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3doy_2be.sdf -rw-rw-r-- root/root 3279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3doz_3be.sdf -rw-rw-r-- root/root 3641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dp0_2bc.sdf -rw-rw-r-- root/root 3394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dp1_2rb.sdf -rw-rw-r-- root/root 3277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dp2_4be.sdf -rw-rw-r-- root/root 3620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dp3_4bb.sdf -rw-rw-r-- root/root 2168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dp8_hct.sdf -rw-rw-r-- root/root 2835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dpd_41a.sdf -rw-rw-r-- root/root 5043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dpf_axb.sdf -rw-rw-r-- root/root 4950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dpk_8c5.sdf -rw-rw-r-- root/root 4658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dr1_c5d.sdf -rw-rw-r-- root/root 4111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3drp_r8e.sdf -rw-rw-r-- root/root 3978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3drs_r8d.sdf -rw-rw-r-- root/root 4182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ds6_a17.sdf -rw-rw-r-- root/root 3125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dsi_t24.sdf -rw-rw-r-- root/root 6480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dsz_liz.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dt1_p40.sdf -rw-rw-r-- root/root 3788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dt3_369.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dt7_gtp.sdf -rw-rw-r-- root/root 1798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dt7_spv.sdf -rw-rw-r-- root/root 4390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dtc_vin.sdf -rw-rw-r-- root/root 2078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dtu_trd.sdf -rw-rw-r-- root/root 4222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dtw_a96.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3du8_553.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dv3_mek.sdf -rw-rw-r-- root/root 2194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dws_fic.sdf -rw-rw-r-- root/root 1791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dx1_yho.sdf -rw-rw-r-- root/root 2201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dx2_mzb.sdf -rw-rw-r-- root/root 1913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dx3_ytb.sdf -rw-rw-r-- root/root 2041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dx4_goo.sdf -rw-rw-r-- root/root 4317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dy6_dy6.sdf -rw-rw-r-- root/root 3550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dy7_1cx.sdf -rw-rw-r-- root/root 4005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dya_pzl.sdf -rw-rw-r-- root/root 3463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dyq_pcg.sdf -rw-rw-r-- root/root 3671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dz2_a8m.sdf -rw-rw-r-- root/root 3918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dz4_c8m.sdf -rw-rw-r-- root/root 4006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dz6_m8e.sdf -rw-rw-r-- root/root 3806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dz7_o8m.sdf -rw-rw-r-- root/root 6177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dzi_rgt.sdf -rw-rw-r-- root/root 4811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dzq_ifc.sdf -rw-rw-r-- root/root 3322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3dzt_eah.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e01_pz2.sdf -rw-rw-r-- root/root 7308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e0p_b3c.sdf -rw-rw-r-- root/root 3007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e12_kd0.sdf -rw-rw-r-- root/root 6446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e16_b4c.sdf -rw-rw-r-- root/root 5599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e2m_e2m.sdf -rw-rw-r-- root/root 5644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e30_ed4.sdf -rw-rw-r-- root/root 4810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e32_ed2.sdf -rw-rw-r-- root/root 4897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e33_ed7.sdf -rw-rw-r-- root/root 3413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e33_fpp.sdf -rw-rw-r-- root/root 6901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e34_ed1.sdf -rw-rw-r-- root/root 5720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e37_ed5.sdf -rw-rw-r-- root/root 5291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e4a_qix.sdf -rw-rw-r-- root/root 1379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e4e_4pz.sdf -rw-rw-r-- root/root 5037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e51_n35.sdf -rw-rw-r-- root/root 1951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e62_5b1.sdf -rw-rw-r-- root/root 2513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e63_5b2.sdf -rw-rw-r-- root/root 3462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e64_5b3.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e65_xxz.sdf -rw-rw-r-- root/root 1613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e67_bvf.sdf -rw-rw-r-- root/root 3124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e68_at6.sdf -rw-rw-r-- root/root 1702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e6i_lz1.sdf -rw-rw-r-- root/root 2202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e6k_abh.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e6l_a11.sdf -rw-rw-r-- root/root 1947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e6n_as3.sdf -rw-rw-r-- root/root 3432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e6o_a55.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e6t_1a2.sdf -rw-rw-r-- root/root 5954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e6y_cw1.sdf -rw-rw-r-- root/root 7319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e7b_e7b.sdf -rw-rw-r-- root/root 5063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e7c_866.sdf -rw-rw-r-- root/root 2717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e7i_b2.sdf -rw-rw-r-- root/root 2913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e7m_at2.sdf -rw-rw-r-- root/root 3981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e7o_35f.sdf -rw-rw-r-- root/root 4011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e7t_b14.sdf -rw-rw-r-- root/root 3486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e7v_dzo.sdf -rw-rw-r-- root/root 3815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e80_hs2.sdf -rw-rw-r-- root/root 3775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e87_g95.sdf -rw-rw-r-- root/root 4722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e8c_g96.sdf -rw-rw-r-- root/root 4745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e8e_g98.sdf -rw-rw-r-- root/root 4383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e8n_vra.sdf -rw-rw-r-- root/root 4798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e8r_615.sdf -rw-rw-r-- root/root 3759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e92_g6a.sdf -rw-rw-r-- root/root 4593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e9i_xah.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e9s_ttt.sdf -rw-rw-r-- root/root 3372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3e9y_1ms.sdf -rw-rw-r-- root/root 3452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ea4_2sm.sdf -rw-rw-r-- root/root 2391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eah_327.sdf -rw-rw-r-- root/root 3605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eai_328.sdf -rw-rw-r-- root/root 3939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eau_pdn.sdf -rw-rw-r-- root/root 6155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eax_lzp.sdf -rw-rw-r-- root/root 3997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eb1_lzq.sdf -rw-rw-r-- root/root 2152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ebd_329.sdf -rw-rw-r-- root/root 3490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ebf_332.sdf -rw-rw-r-- root/root 3644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ebi_bey.sdf -rw-rw-r-- root/root 2155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ebs_n4e.sdf -rw-rw-r-- root/root 5673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ecg_065.sdf -rw-rw-r-- root/root 2533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ecn_ibm.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ed1_ga3.sdf -rw-rw-r-- root/root 4357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3edz_550.sdf -rw-rw-r-- root/root 1719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eeo_pdi.sdf -rw-rw-r-- root/root 4964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3efj_mt3.sdf -rw-rw-r-- root/root 5100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3efk_mt4.sdf -rw-rw-r-- root/root 3990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3efl_706.sdf -rw-rw-r-- root/root 3870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eft_3bs.sdf -rw-rw-r-- root/root 4879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3efw_ak8.sdf -rw-rw-r-- root/root 6437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3egw_mgd.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ehx_bdl.sdf -rw-rw-r-- root/root 2681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ehy_tbl.sdf -rw-rw-r-- root/root 4005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ei6_pl4.sdf -rw-rw-r-- root/root 4028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ei8_pl5.sdf -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eia_pl6.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eio_ajh.sdf -rw-rw-r-- root/root 3161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ej5_ej5.sdf -rw-rw-r-- root/root 3328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ejp_hn2.sdf -rw-rw-r-- root/root 3466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ejq_hn3.sdf -rw-rw-r-- root/root 3806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ejr_hn4.sdf -rw-rw-r-- root/root 3662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ejs_hn5.sdf -rw-rw-r-- root/root 3663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ejt_hn6.sdf -rw-rw-r-- root/root 3807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eju_hn7.sdf -rw-rw-r-- root/root 2323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ejx_zdp.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ekd_pam.sdf -rw-rw-r-- root/root 5271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ekk_gs2.sdf -rw-rw-r-- root/root 2324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ekm_zdr.sdf -rw-rw-r-- root/root 5163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ekn_gs3.sdf -rw-rw-r-- root/root 5108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eku_cy9.sdf -rw-rw-r-- root/root 2530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3el3_el3.sdf -rw-rw-r-- root/root 4943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3el7_pd3.sdf -rw-rw-r-- root/root 4693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3elj_gs7.sdf -rw-rw-r-- root/root 4698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3elm_24f.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3emg_685.sdf -rw-rw-r-- root/root 2841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3emq_hah.sdf -rw-rw-r-- root/root 3512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3emz_hxh.sdf -rw-rw-r-- root/root 3509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3en5_ks4.sdf -rw-rw-r-- root/root 3381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3en6_ks5.sdf -rw-rw-r-- root/root 3047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3en7_abj.sdf -rw-rw-r-- root/root 3150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ene_npz.sdf -rw-rw-r-- root/root 5096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ens_ens.sdf -rw-rw-r-- root/root 2365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3env_abf.sdf -rw-rw-r-- root/root 4061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eoc_t2a.sdf -rw-rw-r-- root/root 3096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eou_pk3.sdf -rw-rw-r-- root/root 2861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3epn_irn.sdf -rw-rw-r-- root/root 2346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3epo_mp5.sdf -rw-rw-r-- root/root 4121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eq7_x99.sdf -rw-rw-r-- root/root 4550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eq8_x98.sdf -rw-rw-r-- root/root 4905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eq9_x97.sdf -rw-rw-r-- root/root 3749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eqb_lug.sdf -rw-rw-r-- root/root 3752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eqc_3bm.sdf -rw-rw-r-- root/root 4688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eqf_ksa.sdf -rw-rw-r-- root/root 3741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eqg_4bm.sdf -rw-rw-r-- root/root 3678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eqh_5bm.sdf -rw-rw-r-- root/root 5689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eqp_t95.sdf -rw-rw-r-- root/root 5148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eqr_t74.sdf -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3erk_sb4.sdf -rw-rw-r-- root/root 3015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3esn_dz1.sdf -rw-rw-r-- root/root 3022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eso_dz2.sdf -rw-rw-r-- root/root 3147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3esp_dz3.sdf -rw-rw-r-- root/root 2417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ess_18n.sdf -rw-rw-r-- root/root 3817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3et3_et1.sdf -rw-rw-r-- root/root 5059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3et7_349.sdf -rw-rw-r-- root/root 5345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eta_351.sdf -rw-rw-r-- root/root 2888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3etd_b1t.sdf -rw-rw-r-- root/root 2113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3etr_luz.sdf -rw-rw-r-- root/root 4929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eu5_gbo.sdf -rw-rw-r-- root/root 3029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3euf_bau.sdf -rw-rw-r-- root/root 5267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ewh_k11.sdf -rw-rw-r-- root/root 4841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ewj_642.sdf -rw-rw-r-- root/root 3472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ex8_aif.sdf -rw-rw-r-- root/root 3233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ey4_352.sdf -rw-rw-r-- root/root 2048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eyk_eyk.sdf -rw-rw-r-- root/root 5120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3eyl_smk.sdf -rw-rw-r-- root/root 4692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ezr_ezr.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f07_age.sdf -rw-rw-r-- root/root 3845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f0b_53r.sdf -rw-rw-r-- root/root 4088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f0q_52v.sdf -rw-rw-r-- root/root 2643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f0t_ncv.sdf -rw-rw-r-- root/root 4089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f0x_53t.sdf -rw-rw-r-- root/root 3321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f15_hs1.sdf -rw-rw-r-- root/root 2960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f16_hs3.sdf -rw-rw-r-- root/root 3120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f17_hs4.sdf -rw-rw-r-- root/root 2942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f18_hs5.sdf -rw-rw-r-- root/root 2561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f19_hs6.sdf -rw-rw-r-- root/root 2418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f1a_hs7.sdf -rw-rw-r-- root/root 2956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f1o_2xy.sdf -rw-rw-r-- root/root 3118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f1q_bce.sdf -rw-rw-r-- root/root 2548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f28_s7b.sdf -rw-rw-r-- root/root 3429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f2n_izz.sdf -rw-rw-r-- root/root 2392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f2p_s3b.sdf -rw-rw-r-- root/root 4234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f3t_1au.sdf -rw-rw-r-- root/root 3751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f3u_1aw.sdf -rw-rw-r-- root/root 5196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f3v_1bu.sdf -rw-rw-r-- root/root 5003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f46_i2c.sdf -rw-rw-r-- root/root 3468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f5l_lb2.sdf -rw-rw-r-- root/root 5175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f5p_741.sdf -rw-rw-r-- root/root 1382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f66_gbl.sdf -rw-rw-r-- root/root 3936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f66_ihx.sdf -rw-rw-r-- root/root 4901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f69_xdr.sdf -rw-rw-r-- root/root 5075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f6b_8pa.sdf -rw-rw-r-- root/root 4117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f6x_ihh.sdf -rw-rw-r-- root/root 1884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f78_icf.sdf -rw-rw-r-- root/root 3932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f7b_ag5.sdf -rw-rw-r-- root/root 6591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f7d_p42.sdf -rw-rw-r-- root/root 5222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f7h_419.sdf -rw-rw-r-- root/root 4739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f7i_g13.sdf -rw-rw-r-- root/root 3528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f7u_ag4.sdf -rw-rw-r-- root/root 3642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f7z_34o.sdf -rw-rw-r-- root/root 2074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f80_6hn.sdf -rw-rw-r-- root/root 2384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f81_stt.sdf -rw-rw-r-- root/root 4931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f82_353.sdf -rw-rw-r-- root/root 1692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f88_2ht.sdf -rw-rw-r-- root/root 3402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f88_3ht.sdf -rw-rw-r-- root/root 3808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f8s_pf2.sdf -rw-rw-r-- root/root 3575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f8z_dh1.sdf -rw-rw-r-- root/root 1809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f9b_pdv.sdf -rw-rw-r-- root/root 5057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3f9n_38m.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3faa_55f.sdf -rw-rw-r-- root/root 4595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fal_lo2.sdf -rw-rw-r-- root/root 2258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fat_amq.sdf -rw-rw-r-- root/root 6059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fc2_ibi.sdf -rw-rw-r-- root/root 5780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fc6_lx2.sdf -rw-rw-r-- root/root 3615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fc8_ifa.sdf -rw-rw-r-- root/root 3503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fcb_ifb.sdf -rw-rw-r-- root/root 3653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fcf_fcf.sdf -rw-rw-r-- root/root 3639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fci_3fi.sdf -rw-rw-r-- root/root 1259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fcj_nie.sdf -rw-rw-r-- root/root 3657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fck_fck.sdf -rw-rw-r-- root/root 3626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fcl_3fl.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fco_iig.sdf -rw-rw-r-- root/root 2269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fcq_m3s.sdf -rw-rw-r-- root/root 3764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fdc_btf.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fdn_mmh.sdf -rw-rw-r-- root/root 2565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fdz_dg2.sdf -rw-rw-r-- root/root 3053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fed_bix.sdf -rw-rw-r-- root/root 4194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fei_ctm.sdf -rw-rw-r-- root/root 4609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ffi_3ob.sdf -rw-rw-r-- root/root 2273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fgd_bya.sdf -rw-rw-r-- root/root 3674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fgo_cza.sdf -rw-rw-r-- root/root 3026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fh5_24p.sdf -rw-rw-r-- root/root 3872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fh7_25p.sdf -rw-rw-r-- root/root 3100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fh8_27p.sdf -rw-rw-r-- root/root 3446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fhe_28p.sdf -rw-rw-r-- root/root 2111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fhx_pxl.sdf -rw-rw-r-- root/root 4889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fi2_jk1.sdf -rw-rw-r-- root/root 5067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fi3_jk2.sdf -rw-rw-r-- root/root 4273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fi4_fi4.sdf -rw-rw-r-- root/root 3383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fj6_cih.sdf -rw-rw-r-- root/root 3469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fjl_cjh.sdf -rw-rw-r-- root/root 1824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fjz_gpf.sdf -rw-rw-r-- root/root 4029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fk7_4dm.sdf -rw-rw-r-- root/root 3453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fkb_tnm.sdf -rw-rw-r-- root/root 3886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fkb_tnv.sdf -rw-rw-r-- root/root 4500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fkl_fkl.sdf -rw-rw-r-- root/root 4112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fkn_fkn.sdf -rw-rw-r-- root/root 1729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fl1_cgp.sdf -rw-rw-r-- root/root 3008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fl5_txq.sdf -rw-rw-r-- root/root 4353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3flf_ub3.sdf -rw-rw-r-- root/root 4448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fli_33y.sdf -rw-rw-r-- root/root 3991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fln_3fn.sdf -rw-rw-r-- root/root 4109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3flw_flw.sdf -rw-rw-r-- root/root 3744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3flz_flz.sdf -rw-rw-r-- root/root 3935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fmz_2t1.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fne_8pc.sdf -rw-rw-r-- root/root 3314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fnf_jpm.sdf -rw-rw-r-- root/root 3338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fng_jpl.sdf -rw-rw-r-- root/root 3431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fnh_jpj.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3foo_pxx.sdf -rw-rw-r-- root/root 2451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3for_znp.sdf -rw-rw-r-- root/root 3280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fp0_fp0.sdf -rw-rw-r-- root/root 4894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fpd_q4a.sdf -rw-rw-r-- root/root 3276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fpm_793.sdf -rw-rw-r-- root/root 3669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fqe_p5c.sdf -rw-rw-r-- root/root 3895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fqh_057.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fqk_79z.sdf -rw-rw-r-- root/root 3352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fqo_n22.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fqs_585.sdf -rw-rw-r-- root/root 3927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fqv_11f.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fr0_ajb.sdf -rw-rw-r-- root/root 3388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fr2_8ca.sdf -rw-rw-r-- root/root 5334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fr3_gds.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fr4_f8a.sdf -rw-rw-r-- root/root 3891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fr5_i4a.sdf -rw-rw-r-- root/root 3780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fra_i2h.sdf -rw-rw-r-- root/root 3064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3frb_top.sdf -rw-rw-r-- root/root 4061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3frc_0hg.sdf -rw-rw-r-- root/root 3697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3frg_sk4.sdf -rw-rw-r-- root/root 4509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3frj_a49.sdf -rw-rw-r-- root/root 5112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3frz_ag0.sdf -rw-rw-r-- root/root 4699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fsf_fss.sdf -rw-rw-r-- root/root 3813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fsk_ro6.sdf -rw-rw-r-- root/root 1592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fst_mry.sdf -rw-rw-r-- root/root 3943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ft8_moj.sdf -rw-rw-r-- root/root 2652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ftu_re2.sdf -rw-rw-r-- root/root 2305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ftv_11x.sdf -rw-rw-r-- root/root 2398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fty_3ip.sdf -rw-rw-r-- root/root 2390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ftz_848.sdf -rw-rw-r-- root/root 2429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fu0_22f.sdf -rw-rw-r-- root/root 2189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fu3_92g.sdf -rw-rw-r-- root/root 2119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fu5_492.sdf -rw-rw-r-- root/root 2182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fu6_80g.sdf -rw-rw-r-- root/root 3176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fu7_d2m.sdf -rw-rw-r-- root/root 1905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fu8_3dm.sdf -rw-rw-r-- root/root 2036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fu9_kib.sdf -rw-rw-r-- root/root 1823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fue_11s.sdf -rw-rw-r-- root/root 3293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fue_bes.sdf -rw-rw-r-- root/root 1818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fuf_14o.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fug_2e3.sdf -rw-rw-r-- root/root 1825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fuh_5h1.sdf -rw-rw-r-- root/root 3147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fui_812.sdf -rw-rw-r-- root/root 2650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fuj_00g.sdf -rw-rw-r-- root/root 3147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fuk_58z.sdf -rw-rw-r-- root/root 3229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ful_52d.sdf -rw-rw-r-- root/root 3255 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fum_80a.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fun_798.sdf -rw-rw-r-- root/root 4271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fur_z12.sdf -rw-rw-r-- root/root 3323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fv1_dyh.sdf -rw-rw-r-- root/root 3192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fv2_ndz.sdf -rw-rw-r-- root/root 4810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fv4_1u4.sdf -rw-rw-r-- root/root 3470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fv5_1eu.sdf -rw-rw-r-- root/root 3633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fv8_jk3.sdf -rw-rw-r-- root/root 2062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fvf_1jz.sdf -rw-rw-r-- root/root 2940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fvg_ms8.sdf -rw-rw-r-- root/root 2117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fvi_osf.sdf -rw-rw-r-- root/root 3076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fvk_8dx.sdf -rw-rw-r-- root/root 2543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fvl_bhk.sdf -rw-rw-r-- root/root 3074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fvn_9dx.sdf -rw-rw-r-- root/root 3210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fvo_8ep.sdf -rw-rw-r-- root/root 4123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fvp_ub2.sdf -rw-rw-r-- root/root 2329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fw0_hh3.sdf -rw-rw-r-- root/root 3040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fw3_ets.sdf -rw-rw-r-- root/root 3568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fw9_slx.sdf -rw-rw-r-- root/root 3561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fwa_ren.sdf -rw-rw-r-- root/root 3736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fx4_fx4.sdf -rw-rw-r-- root/root 2928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fx6_bpx.sdf -rw-rw-r-- root/root 4458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fxp_d38.sdf -rw-rw-r-- root/root 5287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fxv_643.sdf -rw-rw-r-- root/root 3435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fxw_f10.sdf -rw-rw-r-- root/root 5771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fxz_fll.sdf -rw-rw-r-- root/root 2526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fy1_na1.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fy9_xcf.sdf -rw-rw-r-- root/root 3016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fyk_b98.sdf -rw-rw-r-- root/root 3134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fzh_3bh.sdf -rw-rw-r-- root/root 4238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fzk_3bk.sdf -rw-rw-r-- root/root 5244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fzl_3fd.sdf -rw-rw-r-- root/root 5514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fzm_3go.sdf -rw-rw-r-- root/root 5419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fzn_d7k.sdf -rw-rw-r-- root/root 4853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fzr_3jz.sdf -rw-rw-r-- root/root 4588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3fzt_4jz.sdf -rw-rw-r-- root/root 3677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g0b_t22.sdf -rw-rw-r-- root/root 3851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g0c_ruf.sdf -rw-rw-r-- root/root 4189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g0e_b49.sdf -rw-rw-r-- root/root 3543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g0g_rum.sdf -rw-rw-r-- root/root 3484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g0u_mdy.sdf -rw-rw-r-- root/root 3740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g0w_lgb.sdf -rw-rw-r-- root/root 3451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g0x_md7.sdf -rw-rw-r-- root/root 4484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g0y_p9a.sdf -rw-rw-r-- root/root 5174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g11_p9c.sdf -rw-rw-r-- root/root 4269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g15_hc6.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g1f_2om.sdf -rw-rw-r-- root/root 1911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g1h_h2u.sdf -rw-rw-r-- root/root 2774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g1l_rf2.sdf -rw-rw-r-- root/root 3538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g1m_rf3.sdf -rw-rw-r-- root/root 3382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g1o_rf1.sdf -rw-rw-r-- root/root 4084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g1r_fit.sdf -rw-rw-r-- root/root 3312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g1v_5fu.sdf -rw-rw-r-- root/root 2066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g3e_g3e.sdf -rw-rw-r-- root/root 3177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g3n_tc8.sdf -rw-rw-r-- root/root 4068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g42_792.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g49_3g4.sdf -rw-rw-r-- root/root 3594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g4f_fpf.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g4i_d71.sdf -rw-rw-r-- root/root 1142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g4q_mch.sdf -rw-rw-r-- root/root 1241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g4u_0cl.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g4v_7cl.sdf -rw-rw-r-- root/root 1459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g4w_8cl.sdf -rw-rw-r-- root/root 1581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g4y_9cl.sdf -rw-rw-r-- root/root 1692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g52_cee.sdf -rw-rw-r-- root/root 1807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g53_lt1.sdf -rw-rw-r-- root/root 3707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g58_988.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g5e_q74.sdf -rw-rw-r-- root/root 3538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g5h_ytt.sdf -rw-rw-r-- root/root 2680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g5m_xm5.sdf -rw-rw-r-- root/root 6083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g6g_g6g.sdf -rw-rw-r-- root/root 6045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g6h_g6h.sdf -rw-rw-r-- root/root 5830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g6z_a7t.sdf -rw-rw-r-- root/root 5827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g70_a5t.sdf -rw-rw-r-- root/root 5827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g72_a6t.sdf -rw-rw-r-- root/root 2835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g75_b48.sdf -rw-rw-r-- root/root 8745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g76_cz3.sdf -rw-rw-r-- root/root 4127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g7b_b47.sdf -rw-rw-r-- root/root 4235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g7e_b46.sdf -rw-rw-r-- root/root 4754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g7w_mlr.sdf -rw-rw-r-- root/root 5539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g82_mi3.sdf -rw-rw-r-- root/root 5190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g86_t18.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g8e_is1.sdf -rw-rw-r-- root/root 4347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g8i_ro7.sdf -rw-rw-r-- root/root 3606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g8o_30x.sdf -rw-rw-r-- root/root 3646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g90_j72.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g93_pb2.sdf -rw-rw-r-- root/root 4461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g9l_j67.sdf -rw-rw-r-- root/root 4216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3g9n_j88.sdf -rw-rw-r-- root/root 2113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gal_1gn.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gam_mxx.sdf -rw-rw-r-- root/root 3536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gb2_g3b.sdf -rw-rw-r-- root/root 1968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gb9_a2f.sdf -rw-rw-r-- root/root 3896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gc4_aaq.sdf -rw-rw-r-- root/root 3100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gc5_2mq.sdf -rw-rw-r-- root/root 4953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gc9_b45.sdf -rw-rw-r-- root/root 2087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gch_oac.sdf -rw-rw-r-- root/root 5176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gd2_708.sdf -rw-rw-r-- root/root 4411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gdx_4bd.sdf -rw-rw-r-- root/root 3816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ge7_afq.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gen_b43.sdf -rw-rw-r-- root/root 3212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gep_24h.sdf -rw-rw-r-- root/root 3192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3geq_pp2.sdf -rw-rw-r-- root/root 4606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gfe_p37.sdf -rw-rw-r-- root/root 5162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gfw_s22.sdf -rw-rw-r-- root/root 2948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ggc_h26.sdf -rw-rw-r-- root/root 4182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ggf_gvd.sdf -rw-rw-r-- root/root 3069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ggj_25h.sdf -rw-rw-r-- root/root 3006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ggs_2fd.sdf -rw-rw-r-- root/root 4502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ghc_ghc.sdf -rw-rw-r-- root/root 4394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gi2_ghw.sdf -rw-rw-r-- root/root 2646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gjr_dze.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gjw_gjw.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gk1_32a.sdf -rw-rw-r-- root/root 2893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gk2_27a.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gk4_53a.sdf -rw-rw-r-- root/root 2800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gkn_bih.sdf -rw-rw-r-- root/root 1981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gko_aza.sdf -rw-rw-r-- root/root 1437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gky_iph.sdf -rw-rw-r-- root/root 2856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3glz_1bd.sdf -rw-rw-r-- root/root 3831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gmd_2m3.sdf -rw-rw-r-- root/root 1551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gn0_dmo.sdf -rw-rw-r-- root/root 2853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gn7_3gn.sdf -rw-rw-r-- root/root 5082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gnv_xnz.sdf -rw-rw-r-- root/root 5937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gnw_xnc.sdf -rw-rw-r-- root/root 3530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3goi_loi.sdf -rw-rw-r-- root/root 3776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gok_p4o.sdf -rw-rw-r-- root/root 4287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gol_xnd.sdf -rw-rw-r-- root/root 2627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gph_oid.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gqe_bcn.sdf -rw-rw-r-- root/root 3865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gql_gql.sdf -rw-rw-r-- root/root 4197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gqy_dzg.sdf -rw-rw-r-- root/root 2807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gqz_gf7.sdf -rw-rw-r-- root/root 2359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gr2_gf4.sdf -rw-rw-r-- root/root 4210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gr4_dyy.sdf -rw-rw-r-- root/root 2322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3grj_g14.sdf -rw-rw-r-- root/root 3221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gs0_6bd.sdf -rw-rw-r-- root/root 3042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gs4_7bd.sdf -rw-rw-r-- root/root 2709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gsg_gf1.sdf -rw-rw-r-- root/root 3011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gsm_vpu.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gsy_deh.sdf -rw-rw-r-- root/root 2583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gt3_brv.sdf -rw-rw-r-- root/root 5003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gt9_516.sdf -rw-rw-r-- root/root 5001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gta_851.sdf -rw-rw-r-- root/root 2553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gtc_gtc.sdf -rw-rw-r-- root/root 3526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gu8_3gu.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gub_gub.sdf -rw-rw-r-- root/root 5446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gur_byg.sdf -rw-rw-r-- root/root 3078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gus_n11.sdf -rw-rw-r-- root/root 3625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gv5_adi.sdf -rw-rw-r-- root/root 2067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gv9_gv9.sdf -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gvb_3gv.sdf -rw-rw-r-- root/root 4871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gw5_72x.sdf -rw-rw-r-- root/root 4964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gwt_066.sdf -rw-rw-r-- root/root 3199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gwx_epa.sdf -rw-rw-r-- root/root 3837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gxl_qig.sdf -rw-rw-r-- root/root 3680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gxo_mqa.sdf -rw-rw-r-- root/root 5173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gyn_b42.sdf -rw-rw-r-- root/root 4863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gz9_d32.sdf -rw-rw-r-- root/root 3269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gzj_evs.sdf -rw-rw-r-- root/root 2011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3gzx_bnl.sdf -rw-rw-r-- root/root 2995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h03_ubp.sdf -rw-rw-r-- root/root 3609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h06_vbp.sdf -rw-rw-r-- root/root 5366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h0a_d30.sdf -rw-rw-r-- root/root 4476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h0c_ps4.sdf -rw-rw-r-- root/root 2025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h0f_pg5.sdf -rw-rw-r-- root/root 4943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h0q_b37.sdf -rw-rw-r-- root/root 3989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h0s_b38.sdf -rw-rw-r-- root/root 3126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h0v_m2t.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h0w_n8m.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h0y_48b.sdf -rw-rw-r-- root/root 5393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h10_97b.sdf -rw-rw-r-- root/root 4684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h1v_tk1.sdf -rw-rw-r-- root/root 5085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h2l_yak.sdf -rw-rw-r-- root/root 4392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h3c_p1e.sdf -rw-rw-r-- root/root 1358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h3f_oxm.sdf -rw-rw-r-- root/root 3778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h3q_h13.sdf -rw-rw-r-- root/root 3889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h3r_14h.sdf -rw-rw-r-- root/root 3989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h3s_h15.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h3t_16h.sdf -rw-rw-r-- root/root 3194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h4b_bru.sdf -rw-rw-r-- root/root 4521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h4v_dvp.sdf -rw-rw-r-- root/root 5246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h59_h59.sdf -rw-rw-r-- root/root 5391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h5s_h5s.sdf -rw-rw-r-- root/root 4992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h5u_h5u.sdf -rw-rw-r-- root/root 2280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h61_enl.sdf -rw-rw-r-- root/root 2537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h63_nhc.sdf -rw-rw-r-- root/root 4347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h6k_33t.sdf -rw-rw-r-- root/root 3361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h6o_d8g.sdf -rw-rw-r-- root/root 3035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h7w_018.sdf -rw-rw-r-- root/root 3030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h82_020.sdf -rw-rw-r-- root/root 8847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h89_nsx.sdf -rw-rw-r-- root/root 8730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h8b_nsy.sdf -rw-rw-r-- root/root 6835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h8c_nsz.sdf -rw-rw-r-- root/root 4627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h98_b5p.sdf -rw-rw-r-- root/root 4877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h9f_92m.sdf -rw-rw-r-- root/root 3190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h9k_ufp.sdf -rw-rw-r-- root/root 3835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h9o_9bd.sdf -rw-rw-r-- root/root 4178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3h9r_tak.sdf -rw-rw-r-- root/root 5121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ha6_2jz.sdf -rw-rw-r-- root/root 3941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hab_677.sdf -rw-rw-r-- root/root 3374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hac_361.sdf -rw-rw-r-- root/root 4357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hb4_e2b.sdf -rw-rw-r-- root/root 4904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hc5_82x.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hc6_088.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hc8_pd4.sdf -rw-rw-r-- root/root 2131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hcb_lt2.sdf -rw-rw-r-- root/root 2584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hcc_lt3.sdf -rw-rw-r-- root/root 2369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hcf_lt5.sdf -rw-rw-r-- root/root 2341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hch_rsm.sdf -rw-rw-r-- root/root 2820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hcm_s45.sdf -rw-rw-r-- root/root 4861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hcp_fde.sdf -rw-rw-r-- root/root 2046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hd2_pe0.sdf -rw-rw-r-- root/root 3479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hdm_mmg.sdf -rw-rw-r-- root/root 4080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hdn_gmg.sdf -rw-rw-r-- root/root 3183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hdz_pd6.sdf -rw-rw-r-- root/root 4416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hek_bd0.sdf -rw-rw-r-- root/root 2535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hem_d22.sdf -rw-rw-r-- root/root 4474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hf6_lx0.sdf -rw-rw-r-- root/root 5264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hf8_ml0.sdf -rw-rw-r-- root/root 4634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hfb_ml4.sdf -rw-rw-r-- root/root 4574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hfg_17r.sdf -rw-rw-r-- root/root 3646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hfj_dz9.sdf -rw-rw-r-- root/root 2012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hfx_152.sdf -rw-rw-r-- root/root 2187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hfz_mty.sdf -rw-rw-r-- root/root 4768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hhk_77z.sdf -rw-rw-r-- root/root 4533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hhm_kwt.sdf -rw-rw-r-- root/root 4221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hhu_819.sdf -rw-rw-r-- root/root 1696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hhx_pyg.sdf -rw-rw-r-- root/root 3125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hig_brn.sdf -rw-rw-r-- root/root 13173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hio_c2x.sdf -rw-rw-r-- root/root 1704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hj8_4cl.sdf -rw-rw-r-- root/root 1723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hjq_mbd.sdf -rw-rw-r-- root/root 3354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hk1_b64.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hkt_2sd.sdf -rw-rw-r-- root/root 1798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hkv_3ab.sdf -rw-rw-r-- root/root 5638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hkw_ix6.sdf -rw-rw-r-- root/root 5085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hl5_9jz.sdf -rw-rw-r-- root/root 4001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hl7_i47.sdf -rw-rw-r-- root/root 3078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hl8_bbp.sdf -rw-rw-r-- root/root 3657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hld_mja.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hlg_lva.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hll_i45.sdf -rw-rw-r-- root/root 3346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hmm_855.sdf -rw-rw-r-- root/root 2574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hmp_cx4.sdf -rw-rw-r-- root/root 3698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hmv_hbt.sdf -rw-rw-r-- root/root 4472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hnb_768.sdf -rw-rw-r-- root/root 3463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hng_8st.sdf -rw-rw-r-- root/root 3591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hnh_ahq.sdf -rw-rw-r-- root/root 3677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ho0_dkd.sdf -rw-rw-r-- root/root 4354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ho2_n32.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ho9_n3a.sdf -rw-rw-r-- root/root 3561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hod_zzh.sdf -rw-rw-r-- root/root 4539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hok_q80.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hp9_cf1.sdf -rw-rw-r-- root/root 4471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hpt_yet.sdf -rw-rw-r-- root/root 3876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hq5_gkk.sdf -rw-rw-r-- root/root 3692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hqw_pf4.sdf -rw-rw-r-- root/root 4177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hqy_pf6.sdf -rw-rw-r-- root/root 4048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hqz_pf8.sdf -rw-rw-r-- root/root 4160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hr1_pf9.sdf -rw-rw-r-- root/root 3017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hrf_p47.sdf -rw-rw-r-- root/root 3117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hrr_hc8.sdf -rw-rw-r-- root/root 1831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hsw_mcw.sdf -rw-rw-r-- root/root 7458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3huj_agh.sdf -rw-rw-r-- root/root 5472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hvi_619.sdf -rw-rw-r-- root/root 5574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hvj_705.sdf -rw-rw-r-- root/root 5591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hvk_719.sdf -rw-rw-r-- root/root 5163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hwe_rks.sdf -rw-rw-r-- root/root 5448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hwg_qed.sdf -rw-rw-r-- root/root 6016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hxb_bd5.sdf -rw-rw-r-- root/root 6342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hxc_bd6.sdf -rw-rw-r-- root/root 6094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hxd_bd7.sdf -rw-rw-r-- root/root 7090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hxe_bd8.sdf -rw-rw-r-- root/root 6982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hxf_bd9.sdf -rw-rw-r-- root/root 4042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hxy_5al.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hy7_097.sdf -rw-rw-r-- root/root 4567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hy9_098.sdf -rw-rw-r-- root/root 3932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hyg_099.sdf -rw-rw-r-- root/root 3963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hyx_auk.sdf -rw-rw-r-- root/root 3764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3hz5_z64.sdf -rw-rw-r-- root/root 4372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i0a_2ds.sdf -rw-rw-r-- root/root 4104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i0a_3et.sdf -rw-rw-r-- root/root 6451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i0a_mcj.sdf -rw-rw-r-- root/root 4235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i0r_rt3.sdf -rw-rw-r-- root/root 4359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i0s_rt7.sdf -rw-rw-r-- root/root 3468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i1y_33n.sdf -rw-rw-r-- root/root 4287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i28_34n.sdf -rw-rw-r-- root/root 1707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i4v_3ce.sdf -rw-rw-r-- root/root 1820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i4y_35c.sdf -rw-rw-r-- root/root 1820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i51_45c.sdf -rw-rw-r-- root/root 2720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i58_7na.sdf -rw-rw-r-- root/root 4091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i5n_b2d.sdf -rw-rw-r-- root/root 2471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i5u_5na.sdf -rw-rw-r-- root/root 4357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i5z_z48.sdf -rw-rw-r-- root/root 4495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i60_e86.sdf -rw-rw-r-- root/root 2458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i64_dna.sdf -rw-rw-r-- root/root 3233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i65_jz8.sdf -rw-rw-r-- root/root 3605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i68_j4z.sdf -rw-rw-r-- root/root 1802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i6c_gia.sdf -rw-rw-r-- root/root 4201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i6m_g3x.sdf -rw-rw-r-- root/root 6051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i6o_gr6.sdf -rw-rw-r-- root/root 3164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i6r_j5z.sdf -rw-rw-r-- root/root 5286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i6z_g6x.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i7g_732.sdf -rw-rw-r-- root/root 5061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i7i_518.sdf -rw-rw-r-- root/root 4826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i81_ebi.sdf -rw-rw-r-- root/root 4685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i8p_840.sdf -rw-rw-r-- root/root 1632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i8r_dtv.sdf -rw-rw-r-- root/root 5967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i8u_18b.sdf -rw-rw-r-- root/root 3064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i8v_0mo.sdf -rw-rw-r-- root/root 4592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i97_8dr.sdf -rw-rw-r-- root/root 5091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3i9n_avw.sdf -rw-rw-r-- root/root 4346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ia6_unt.sdf -rw-rw-r-- root/root 4057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iad_15x.sdf -rw-rw-r-- root/root 3549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iak_ev1.sdf -rw-rw-r-- root/root 2639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ic0_b77.sdf -rw-rw-r-- root/root 4879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3idp_l1e.sdf -rw-rw-r-- root/root 5203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iej_599.sdf -rw-rw-r-- root/root 5798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ies_m24.sdf -rw-rw-r-- root/root 5882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ig6_438.sdf -rw-rw-r-- root/root 4899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3igv_b80.sdf -rw-rw-r-- root/root 5101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ii5_831.sdf -rw-rw-r-- root/root 2347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iiq_jza.sdf -rw-rw-r-- root/root 6096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iiu_pid.sdf -rw-rw-r-- root/root 2766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ijj_avr.sdf -rw-rw-r-- root/root 2197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ijj_en1.sdf -rw-rw-r-- root/root 4448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ik9_bob.sdf -rw-rw-r-- root/root 3764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ikd_j9z.sdf -rw-rw-r-- root/root 3894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ikg_j8z.sdf -rw-rw-r-- root/root 3863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3il5_b82.sdf -rw-rw-r-- root/root 4630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3il6_b83.sdf -rw-rw-r-- root/root 2346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ilo_ph2.sdf -rw-rw-r-- root/root 3458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ilz_b72.sdf -rw-rw-r-- root/root 1940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3imc_bz3.sdf -rw-rw-r-- root/root 5192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3imd_fyq.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ime_bz2.sdf -rw-rw-r-- root/root 5188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3imj_ayi.sdf -rw-rw-r-- root/root 2909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3imr_iw1.sdf -rw-rw-r-- root/root 2900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ims_iw2.sdf -rw-rw-r-- root/root 3127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3imw_iw6.sdf -rw-rw-r-- root/root 5082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3imx_b84.sdf -rw-rw-r-- root/root 3744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3in3_472.sdf -rw-rw-r-- root/root 5262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3in7_ayq.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3in8_fyi.sdf -rw-rw-r-- root/root 4454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3inh_569.sdf -rw-rw-r-- root/root 3138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3inj_bxb.sdf -rw-rw-r-- root/root 7106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3inq_x0j.sdf -rw-rw-r-- root/root 3396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3inv_c50.sdf -rw-rw-r-- root/root 4632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3inw_jzb.sdf -rw-rw-r-- root/root 4499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3inx_jzc.sdf -rw-rw-r-- root/root 1969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iny_7dg.sdf -rw-rw-r-- root/root 4139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3io7_1p5.sdf -rw-rw-r-- root/root 2949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iob_a4d.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ioc_a5d.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iod_a6d.sdf -rw-rw-r-- root/root 3660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ioe_a7d.sdf -rw-rw-r-- root/root 2800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iof_ifs.sdf -rw-rw-r-- root/root 2396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iog_sdf.sdf -rw-rw-r-- root/root 5840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ioi_1gw.sdf -rw-rw-r-- root/root 3785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iok_1p6.sdf -rw-rw-r-- root/root 4889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ion_8h1.sdf -rw-rw-r-- root/root 4890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iop_8i1.sdf -rw-rw-r-- root/root 2301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ip0_hhr.sdf -rw-rw-r-- root/root 3790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iph_g11.sdf -rw-rw-r-- root/root 4438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ips_o90.sdf -rw-rw-r-- root/root 4653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ipu_o40.sdf -rw-rw-r-- root/root 2715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ipx_b86.sdf -rw-rw-r-- root/root 4113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ipy_b87.sdf -rw-rw-r-- root/root 6384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ir7_md1.sdf -rw-rw-r-- root/root 3463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iro_2cy.sdf -rw-rw-r-- root/root 5132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3irx_udr.sdf -rw-rw-r-- root/root 4793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3is9_ac7.sdf -rw-rw-r-- root/root 2792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3isj_a8d.sdf -rw-rw-r-- root/root 4358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3itz_p66.sdf -rw-rw-r-- root/root 4365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iu2_096.sdf -rw-rw-r-- root/root 2415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iu7_fcd.sdf -rw-rw-r-- root/root 2325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iu8_t03.sdf -rw-rw-r-- root/root 2576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iu9_t07.sdf -rw-rw-r-- root/root 3495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iub_fg2.sdf -rw-rw-r-- root/root 3955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iue_fg3.sdf -rw-rw-r-- root/root 3948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ivc_fg4.sdf -rw-rw-r-- root/root 4081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ivg_fg5.sdf -rw-rw-r-- root/root 4696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ivh_1li.sdf -rw-rw-r-- root/root 4186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ivx_fg6.sdf -rw-rw-r-- root/root 3526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iw2_eko.sdf -rw-rw-r-- root/root 4567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iw4_lw4.sdf -rw-rw-r-- root/root 4068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iw6_pp0.sdf -rw-rw-r-- root/root 2956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iw7_bog.sdf -rw-rw-r-- root/root 3489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iw7_ipk.sdf -rw-rw-r-- root/root 4011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iw8_hiz.sdf -rw-rw-r-- root/root 2544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iwl_tce.sdf -rw-rw-r-- root/root 4086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iww_yze.sdf -rw-rw-r-- root/root 1101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3iwx_cpt.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ix3_ohn.sdf -rw-rw-r-- root/root 4305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ix4_tx1.sdf -rw-rw-r-- root/root 4055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ix8_tx3.sdf -rw-rw-r-- root/root 4373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ixp_834.sdf -rw-rw-r-- root/root 4673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jpn_g2c.sdf -rw-rw-r-- root/root 4574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jpo_g1c.sdf -rw-rw-r-- root/root 4548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jpp_g1m.sdf -rw-rw-r-- root/root 4572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jpq_gbr.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jpr_g2m.sdf -rw-rw-r-- root/root 4686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jps_gfm.sdf -rw-rw-r-- root/root 4696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jpt_gfc.sdf -rw-rw-r-- root/root 4185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jpu_ty4.sdf -rw-rw-r-- root/root 2819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jpv_1dr.sdf -rw-rw-r-- root/root 2378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3js2_vm1.sdf -rw-rw-r-- root/root 3296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jsi_wtc.sdf -rw-rw-r-- root/root 3596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jsu_ka5.sdf -rw-rw-r-- root/root 3835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jsw_jar.sdf -rw-rw-r-- root/root 3585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jsx_cc2.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jtk_x55.sdf -rw-rw-r-- root/root 1932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jut_gtq.sdf -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jvh_hhv.sdf -rw-rw-r-- root/root 3390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jvr_agx.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jvs_agy.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jwq_via.sdf -rw-rw-r-- root/root 4074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jww_ji4.sdf -rw-rw-r-- root/root 3467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jxw_lxg.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jy0_lyg.sdf -rw-rw-r-- root/root 3723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jy9_jzh.sdf -rw-rw-r-- root/root 2593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jya_lwg.sdf -rw-rw-r-- root/root 3725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jyj_jzi.sdf -rw-rw-r-- root/root 4322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3jzk_yin.sdf -rw-rw-r-- root/root 4791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k0v_dxi.sdf -rw-rw-r-- root/root 2408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k14_535.sdf -rw-rw-r-- root/root 6817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k1o_poz.sdf -rw-rw-r-- root/root 5197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k1w_bfx.sdf -rw-rw-r-- root/root 2054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k1x_dbx.sdf -rw-rw-r-- root/root 4932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k22_jzs.sdf -rw-rw-r-- root/root 6234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k23_jzn.sdf -rw-rw-r-- root/root 2721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k2x_i5a.sdf -rw-rw-r-- root/root 3560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k3b_l31.sdf -rw-rw-r-- root/root 3578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k3h_bye.sdf -rw-rw-r-- root/root 4649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k3j_f4c.sdf -rw-rw-r-- root/root 2727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k3l_dbs.sdf -rw-rw-r-- root/root 5278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k3l_mck.sdf -rw-rw-r-- root/root 3292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k45_51p.sdf -rw-rw-r-- root/root 3292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k47_d09.sdf -rw-rw-r-- root/root 2576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k4f_q86.sdf -rw-rw-r-- root/root 2343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k56_is3.sdf -rw-rw-r-- root/root 3005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k5e_k5e.sdf -rw-rw-r-- root/root 4799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k5k_dxq.sdf -rw-rw-r-- root/root 3801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k5v_stj.sdf -rw-rw-r-- root/root 3534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k6l_2bb.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k6p_5fb.sdf -rw-rw-r-- root/root 3021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k8o_229.sdf -rw-rw-r-- root/root 2759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k8q_22a.sdf -rw-rw-r-- root/root 4570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k8s_z27.sdf -rw-rw-r-- root/root 3494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k8x_b89.sdf -rw-rw-r-- root/root 3730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k98_1rc.sdf -rw-rw-r-- root/root 3831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3k9w_4ps.sdf -rw-rw-r-- root/root 4084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ka0_mk3.sdf -rw-rw-r-- root/root 3568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kaa_psf.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kab_4bl.sdf -rw-rw-r-- root/root 2316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kac_4bx.sdf -rw-rw-r-- root/root 3684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kad_4c0.sdf -rw-rw-r-- root/root 3857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kaf_4d9.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kag_4d7.sdf -rw-rw-r-- root/root 4217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kah_4dh.sdf -rw-rw-r-- root/root 4217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kai_4fi.sdf -rw-rw-r-- root/root 4613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kb7_071.sdf -rw-rw-r-- root/root 3895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kba_wow.sdf -rw-rw-r-- root/root 2208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kbo_ndb.sdf -rw-rw-r-- root/root 2969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kbz_2t4.sdf -rw-rw-r-- root/root 2825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kc0_2t5.sdf -rw-rw-r-- root/root 3194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kc1_2t6.sdf -rw-rw-r-- root/root 3809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kc3_mk2.sdf -rw-rw-r-- root/root 2200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kce_4by.sdf -rw-rw-r-- root/root 3835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kcf_jzo.sdf -rw-rw-r-- root/root 3557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kck_3kc.sdf -rw-rw-r-- root/root 2185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kcx_cql.sdf -rw-rw-r-- root/root 1931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kcy_hqy.sdf -rw-rw-r-- root/root 4608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kds_nhx.sdf -rw-rw-r-- root/root 4320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kdt_7ha.sdf -rw-rw-r-- root/root 5011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kdu_nks.sdf -rw-rw-r-- root/root 3673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ke1_829.sdf -rw-rw-r-- root/root 2421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ke8_eip.sdf -rw-rw-r-- root/root 4597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kec_3ke.sdf -rw-rw-r-- root/root 1616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ked_dab.sdf -rw-rw-r-- root/root 6861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kee_30b.sdf -rw-rw-r-- root/root 2275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kef_dma.sdf -rw-rw-r-- root/root 4427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kej_3ej.sdf -rw-rw-r-- root/root 4747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kek_3ek.sdf -rw-rw-r-- root/root 4448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kf4_b90.sdf -rw-rw-r-- root/root 4092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kf7_l9g.sdf -rw-rw-r-- root/root 5517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kfa_b91.sdf -rw-rw-r-- root/root 4235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kfc_61x.sdf -rw-rw-r-- root/root 5165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kfj_yen.sdf -rw-rw-r-- root/root 2721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kfx_mcy.sdf -rw-rw-r-- root/root 3021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kfy_jzm.sdf -rw-rw-r-- root/root 4474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kga_lx9.sdf -rw-rw-r-- root/root 1934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kgp_4az.sdf -rw-rw-r-- root/root 3614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3khj_c64.sdf -rw-rw-r-- root/root 1825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3khv_4al.sdf -rw-rw-r-- root/root 3126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ki0_g9d.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ki1_g9f.sdf -rw-rw-r-- root/root 3274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ki2_g9g.sdf -rw-rw-r-- root/root 2846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ki3_g9h.sdf -rw-rw-r-- root/root 3339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ki4_g9p.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ki5_g9m.sdf -rw-rw-r-- root/root 3777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ki6_g9l.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ki7_g9i.sdf -rw-rw-r-- root/root 2482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kid_2bs.sdf -rw-rw-r-- root/root 1693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kiv_aca.sdf -rw-rw-r-- root/root 4272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kjs_dq1.sdf -rw-rw-r-- root/root 6463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kjs_nap.sdf -rw-rw-r-- root/root 4497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kkm_gnp.sdf -rw-rw-r-- root/root 3477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kkt_0cp.sdf -rw-rw-r-- root/root 3383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kku_b95.sdf -rw-rw-r-- root/root 4822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kkv_b99.sdf -rw-rw-r-- root/root 4486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kl6_443.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3klp_b81.sdf -rw-rw-r-- root/root 4991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3km4_22x.sdf -rw-rw-r-- root/root 2976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3km8_9di.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kmc_403.sdf -rw-rw-r-- root/root 3804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kme_z59.sdf -rw-rw-r-- root/root 5222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kmg_538.sdf -rw-rw-r-- root/root 3740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kmr_eqn.sdf -rw-rw-r-- root/root 4307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kmz_eqo.sdf -rw-rw-r-- root/root 3937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ko0_tfp.sdf -rw-rw-r-- root/root 2374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3koh_oio.sdf -rw-rw-r-- root/root 3694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3koo_24d.sdf -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kox_z98.sdf -rw-rw-r-- root/root 3535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3koy_z97.sdf -rw-rw-r-- root/root 1987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kpy_es2.sdf -rw-rw-r-- root/root 4799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kpz_zne.sdf -rw-rw-r-- root/root 1393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kqm_es3.sdf -rw-rw-r-- root/root 1847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kqo_es4.sdf -rw-rw-r-- root/root 1927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kqp_es5.sdf -rw-rw-r-- root/root 1864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kqq_es6.sdf -rw-rw-r-- root/root 1638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kqr_ope.sdf -rw-rw-r-- root/root 1846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kqs_ax7.sdf -rw-rw-r-- root/root 1963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kqt_es7.sdf -rw-rw-r-- root/root 1682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kqv_fan.sdf -rw-rw-r-- root/root 1855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kqw_es9.sdf -rw-rw-r-- root/root 1973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kqy_es0.sdf -rw-rw-r-- root/root 1985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kr1_vgd.sdf -rw-rw-r-- root/root 1981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kr2_et2.sdf -rw-rw-r-- root/root 3995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3krj_krj.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3krl_krl.sdf -rw-rw-r-- root/root 1397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3krq_3tr.sdf -rw-rw-r-- root/root 4739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kry_3kr.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ksl_szh.sdf -rw-rw-r-- root/root 5119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ksq_z96.sdf -rw-rw-r-- root/root 4080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ksw_vnf.sdf -rw-rw-r-- root/root 2340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kt0_emn.sdf -rw-rw-r-- root/root 2099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kv2_nnh.sdf -rw-rw-r-- root/root 1246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kvi_fah.sdf -rw-rw-r-- root/root 3527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kvj_1x5.sdf -rw-rw-r-- root/root 3126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kvk_6x1.sdf -rw-rw-r-- root/root 3362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kvl_7z5.sdf -rw-rw-r-- root/root 3515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kvm_951.sdf -rw-rw-r-- root/root 1770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kvv_r2b.sdf -rw-rw-r-- root/root 3813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kvw_irb.sdf -rw-rw-r-- root/root 5064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kvx_fmy.sdf -rw-rw-r-- root/root 2173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kvz_env.sdf -rw-rw-r-- root/root 2167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kw1_enw.sdf -rw-rw-r-- root/root 2725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kw4_tic.sdf -rw-rw-r-- root/root 4011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kwf_b1q.sdf -rw-rw-r-- root/root 3963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kwj_23q.sdf -rw-rw-r-- root/root 1390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kwm_3gr.sdf -rw-rw-r-- root/root 6130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kwn_23z.sdf -rw-rw-r-- root/root 2766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kwy_t9t.sdf -rw-rw-r-- root/root 3448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kx1_kx1.sdf -rw-rw-r-- root/root 3117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kx3_140.sdf -rw-rw-r-- root/root 2294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kxg_k6x.sdf -rw-rw-r-- root/root 3036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kxh_k66.sdf -rw-rw-r-- root/root 3052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kxm_k74.sdf -rw-rw-r-- root/root 2183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kxn_k8x.sdf -rw-rw-r-- root/root 3847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kxo_kxo.sdf -rw-rw-r-- root/root 5142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kxz_925.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kyt_hc2.sdf -rw-rw-r-- root/root 2436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kzk_oln.sdf -rw-rw-r-- root/root 2053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3kzn_aor.sdf -rw-rw-r-- root/root 4871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l08_zig.sdf -rw-rw-r-- root/root 4895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l0e_g58.sdf -rw-rw-r-- root/root 5798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l0f_cyc.sdf -rw-rw-r-- root/root 4186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l0j_hc9.sdf -rw-rw-r-- root/root 3530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l0k_6au.sdf -rw-rw-r-- root/root 4193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l0l_hc3.sdf -rw-rw-r-- root/root 3347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l0n_s5p.sdf -rw-rw-r-- root/root 2756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l0t_z94.sdf -rw-rw-r-- root/root 3307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l0v_724.sdf -rw-rw-r-- root/root 4682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l13_jzw.sdf -rw-rw-r-- root/root 4577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l16_jzx.sdf -rw-rw-r-- root/root 4719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l17_jzy.sdf -rw-rw-r-- root/root 5487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l1b_635.sdf -rw-rw-r-- root/root 2439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l1m_hqi.sdf -rw-rw-r-- root/root 3706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l1s_z92.sdf -rw-rw-r-- root/root 4426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l2u_elv.sdf -rw-rw-r-- root/root 3352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l30_dbw.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l3a_625.sdf -rw-rw-r-- root/root 2921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l3l_l3l.sdf -rw-rw-r-- root/root 3665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l3m_a92.sdf -rw-rw-r-- root/root 4894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l3n_lsw.sdf -rw-rw-r-- root/root 3423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l4t_bj1.sdf -rw-rw-r-- root/root 3421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l4u_dsk.sdf -rw-rw-r-- root/root 3898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l4v_ktl.sdf -rw-rw-r-- root/root 3897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l4x_nr3.sdf -rw-rw-r-- root/root 3898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l4y_nr4.sdf -rw-rw-r-- root/root 3594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l54_lxx.sdf -rw-rw-r-- root/root 2218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l5p_428.sdf -rw-rw-r-- root/root 2985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l5s_88x.sdf -rw-rw-r-- root/root 3874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l5t_956.sdf -rw-rw-r-- root/root 2324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l5u_zec.sdf -rw-rw-r-- root/root 1949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l7g_m44.sdf -rw-rw-r-- root/root 4296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l7k_c2g.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l8p_0ce.sdf -rw-rw-r-- root/root 4560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l8s_bff.sdf -rw-rw-r-- root/root 4545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l8v_l8v.sdf -rw-rw-r-- root/root 3837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l8x_n4d.sdf -rw-rw-r-- root/root 4811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l9h_emq.sdf -rw-rw-r-- root/root 4263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l9l_l9l.sdf -rw-rw-r-- root/root 3918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l9m_l9m.sdf -rw-rw-r-- root/root 3791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3l9n_l9n.sdf -rw-rw-r-- root/root 1932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3la3_2ft.sdf -rw-rw-r-- root/root 4375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lak_kr1.sdf -rw-rw-r-- root/root 3525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lal_krv.sdf -rw-rw-r-- root/root 3632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lam_krp.sdf -rw-rw-r-- root/root 3737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lan_kbt.sdf -rw-rw-r-- root/root 3229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lau_ofi.sdf -rw-rw-r-- root/root 2117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lbg_8tx.sdf -rw-rw-r-- root/root 5911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lbj_ww8.sdf -rw-rw-r-- root/root 4442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lbk_k23.sdf -rw-rw-r-- root/root 4573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lbl_mi6.sdf -rw-rw-r-- root/root 3948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lbz_z89.sdf -rw-rw-r-- root/root 3242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lc3_iyx.sdf -rw-rw-r-- root/root 2820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lc4_lc4.sdf -rw-rw-r-- root/root 4334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lc5_izx.sdf -rw-rw-r-- root/root 4981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lcd_bdy.sdf -rw-rw-r-- root/root 2667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lce_lce.sdf -rw-rw-r-- root/root 4546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lco_lc0.sdf -rw-rw-r-- root/root 2356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ld4_8nx.sdf -rw-rw-r-- root/root 4355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ldq_3p1.sdf -rw-rw-r-- root/root 3966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3le8_2b5.sdf -rw-rw-r-- root/root 3785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3le9_727.sdf -rw-rw-r-- root/root 4599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lea_z93.sdf -rw-rw-r-- root/root 4062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lff_z83.sdf -rw-rw-r-- root/root 2806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lfm_3dt.sdf -rw-rw-r-- root/root 3933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lfn_a27.sdf -rw-rw-r-- root/root 3166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lgg_cfe.sdf -rw-rw-r-- root/root 5628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lgp_50x.sdf -rw-rw-r-- root/root 4483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lhj_lhj.sdf -rw-rw-r-- root/root 3342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lhz_bmq.sdf -rw-rw-r-- root/root 5376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lik_eeg.sdf -rw-rw-r-- root/root 5525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lil_eea.sdf -rw-rw-r-- root/root 6699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lin_e13.sdf -rw-rw-r-- root/root 6106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3liq_e14.sdf -rw-rw-r-- root/root 6244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lit_e15.sdf -rw-rw-r-- root/root 6359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3liv_e16.sdf -rw-rw-r-- root/root 4918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3liw_rup.sdf -rw-rw-r-- root/root 7396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lix_e17.sdf -rw-rw-r-- root/root 3431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lj2_iza.sdf -rw-rw-r-- root/root 4289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lj3_wye.sdf -rw-rw-r-- root/root 4788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ljg_eef.sdf -rw-rw-r-- root/root 4295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ljr_ggc.sdf -rw-rw-r-- root/root 4991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ljz_la3.sdf -rw-rw-r-- root/root 1040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lk1_emc.sdf -rw-rw-r-- root/root 1815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lk1_jke.sdf -rw-rw-r-- root/root 4675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lk9_tff.sdf -rw-rw-r-- root/root 2037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lka_m4s.sdf -rw-rw-r-- root/root 4177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lkh_lt6.sdf -rw-rw-r-- root/root 1853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ll5_ip8.sdf -rw-rw-r-- root/root 3790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lm0_ebd.sdf -rw-rw-r-- root/root 3586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lm1_lec.sdf -rw-rw-r-- root/root 5059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lmp_cek.sdf -rw-rw-r-- root/root 1920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lmx_dhb.sdf -rw-rw-r-- root/root 2932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ln0_52b.sdf -rw-rw-r-- root/root 2821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lp0_lp7.sdf -rw-rw-r-- root/root 2794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lp1_lp8.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lp2_lp9.sdf -rw-rw-r-- root/root 4485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lpb_nvb.sdf -rw-rw-r-- root/root 4111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lpf_z77.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lpg_z78.sdf -rw-rw-r-- root/root 3244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lpt_723.sdf -rw-rw-r-- root/root 3592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lpu_976.sdf -rw-rw-r-- root/root 2354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lpu_p03.sdf -rw-rw-r-- root/root 4438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lq5_slq.sdf -rw-rw-r-- root/root 6066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lq8_88z.sdf -rw-rw-r-- root/root 3545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lqs_psz.sdf -rw-rw-r-- root/root 3263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ls8_ajz.sdf -rw-rw-r-- root/root 2558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lsw_4mp.sdf -rw-rw-r-- root/root 3789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lt5_blq.sdf -rw-rw-r-- root/root 3836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ltn_pdq.sdf -rw-rw-r-- root/root 3816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lu6_imx.sdf -rw-rw-r-- root/root 4048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lu7_ipx.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lu8_iqx.sdf -rw-rw-r-- root/root 3543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lvp_pdr.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lvv_lbp.sdf -rw-rw-r-- root/root 4856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lw0_ccx.sdf -rw-rw-r-- root/root 2956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lxg_z73.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lxk_mi1.sdf -rw-rw-r-- root/root 3969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ly2_z72.sdf -rw-rw-r-- root/root 1850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lyi_ocs.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lz6_a0d.sdf -rw-rw-r-- root/root 5742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3lzb_iti.sdf -rw-rw-r-- root/root 3595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m02_2cf.sdf -rw-rw-r-- root/root 5055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m08_rar.sdf -rw-rw-r-- root/root 3593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m0w_p77.sdf -rw-rw-r-- root/root 5306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m11_aki.sdf -rw-rw-r-- root/root 2900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m1o_cjz.sdf -rw-rw-r-- root/root 4453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m1s_dw1.sdf -rw-rw-r-- root/root 3305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m1z_bmp.sdf -rw-rw-r-- root/root 4428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m2j_f5m.sdf -rw-rw-r-- root/root 3410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m2n_j74.sdf -rw-rw-r-- root/root 4098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m2w_l8i.sdf -rw-rw-r-- root/root 3471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m2x_bex.sdf -rw-rw-r-- root/root 5004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m35_m35.sdf -rw-rw-r-- root/root 3513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m3x_js7.sdf -rw-rw-r-- root/root 3674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m3z_3f5.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m42_hgf.sdf -rw-rw-r-- root/root 3289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m50_ebt.sdf -rw-rw-r-- root/root 4718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m51_yr1.sdf -rw-rw-r-- root/root 2874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m5c_pa9.sdf -rw-rw-r-- root/root 3504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m5e_jdr.sdf -rw-rw-r-- root/root 4038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m67_e36.sdf -rw-rw-r-- root/root 5098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m6f_bjz.sdf -rw-rw-r-- root/root 7310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m6g_lo3.sdf -rw-rw-r-- root/root 4799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m8q_djz.sdf -rw-rw-r-- root/root 4346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m8r_hxz.sdf -rw-rw-r-- root/root 4240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m8s_hxb.sdf -rw-rw-r-- root/root 3649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m96_e38.sdf -rw-rw-r-- root/root 3373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3m98_e02.sdf -rw-rw-r-- root/root 3203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ma3_01i.sdf -rw-rw-r-- root/root 1981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mag_3ma.sdf -rw-rw-r-- root/root 3190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3max_llx.sdf -rw-rw-r-- root/root 3203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mb7_14i.sdf -rw-rw-r-- root/root 3628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mbl_lsg.sdf -rw-rw-r-- root/root 1867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mbm_717.sdf -rw-rw-r-- root/root 1747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mct_3mc.sdf -rw-rw-r-- root/root 3968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mcy_zh1.sdf -rw-rw-r-- root/root 4264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mdc_gtf.sdf -rw-rw-r-- root/root 3033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mdm_fjz.sdf -rw-rw-r-- root/root 1872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mdr_gjz.sdf -rw-rw-r-- root/root 3573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mdv_cl6.sdf -rw-rw-r-- root/root 4218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3me3_3sz.sdf -rw-rw-r-- root/root 3220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3me6_cge.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mee_t27.sdf -rw-rw-r-- root/root 3845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mf5_hjz.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mfh_dtp.sdf -rw-rw-r-- root/root 2259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mfv_z70.sdf -rw-rw-r-- root/root 2109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mfw_b3u.sdf -rw-rw-r-- root/root 5439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mg3_ech.sdf -rw-rw-r-- root/root 3039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mhj_m3f.sdf -rw-rw-r-- root/root 3472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mhl_j71.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mhm_j75.sdf -rw-rw-r-- root/root 1857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mhw_abv.sdf -rw-rw-r-- root/root 4490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mj1_614.sdf -rw-rw-r-- root/root 5761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mj2_mjg.sdf -rw-rw-r-- root/root 4349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mj5_grm.sdf -rw-rw-r-- root/root 1385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mjl_2ai.sdf -rw-rw-r-- root/root 2066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mjm_ncd.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mjn_rnp.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mjw_wyf.sdf -rw-rw-r-- root/root 3416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mjx_bit.sdf -rw-rw-r-- root/root 3336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mke_cb4.sdf -rw-rw-r-- root/root 2675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mkn_dnb.sdf -rw-rw-r-- root/root 3023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mkp_sgn.sdf -rw-rw-r-- root/root 3705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mks_c1c.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ml2_su0.sdf -rw-rw-r-- root/root 3914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ml8_ml8.sdf -rw-rw-r-- root/root 4383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ml9_ml9.sdf -rw-rw-r-- root/root 4304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mla_jjz.sdf -rw-rw-r-- root/root 5414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mlb_ljz.sdf -rw-rw-r-- root/root 4334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mmx_kjz.sdf -rw-rw-r-- root/root 3510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mna_dwh.sdf -rw-rw-r-- root/root 4094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mnp_dex.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mnr_sd1.sdf -rw-rw-r-- root/root 5350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mo2_e67.sdf -rw-rw-r-- root/root 5217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mo5_e72.sdf -rw-rw-r-- root/root 5705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3moo_vea.sdf -rw-rw-r-- root/root 6199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mow_b2b.sdf -rw-rw-r-- root/root 6004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mpf_n2d.sdf -rw-rw-r-- root/root 4260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mpm_5lk.sdf -rw-rw-r-- root/root 3896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mq4_z99.sdf -rw-rw-r-- root/root 3277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mqe_416.sdf -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mqf_20x.sdf -rw-rw-r-- root/root 3532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mrt_12e.sdf -rw-rw-r-- root/root 3651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mrv_16f.sdf -rw-rw-r-- root/root 3763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mrx_17s.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ms2_18s.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ms3_anl.sdf -rw-rw-r-- root/root 4009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ms4_21n.sdf -rw-rw-r-- root/root 1819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ms5_oga.sdf -rw-rw-r-- root/root 1853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ms5_ree.sdf -rw-rw-r-- root/root 3659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ms7_22s.sdf -rw-rw-r-- root/root 2055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ms9_ms9.sdf -rw-rw-r-- root/root 1573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3msa_b3r.sdf -rw-rw-r-- root/root 3901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3msc_24s.sdf -rw-rw-r-- root/root 3111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mss_ms7.sdf -rw-rw-r-- root/root 1145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3msx_mgf.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mt7_16o.sdf -rw-rw-r-- root/root 3593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mt8_17t.sdf -rw-rw-r-- root/root 3889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mt9_18o.sdf -rw-rw-r-- root/root 3656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mta_22o.sdf -rw-rw-r-- root/root 3659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mtb_23v.sdf -rw-rw-r-- root/root 3657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mtd_25e.sdf -rw-rw-r-- root/root 3669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mtf_a3f.sdf -rw-rw-r-- root/root 1924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mth_mpb.sdf -rw-rw-r-- root/root 3904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mtl_fef.sdf -rw-rw-r-- root/root 3546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mu6_bxl.sdf -rw-rw-r-- root/root 2637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mv5_xfe.sdf -rw-rw-r-- root/root 4169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mvh_wfe.sdf -rw-rw-r-- root/root 4271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mvl_38p.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mvm_39p.sdf -rw-rw-r-- root/root 4751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mvr_cm5.sdf -rw-rw-r-- root/root 3832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mvx_bhz.sdf -rw-rw-r-- root/root 4026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mvz_bhn.sdf -rw-rw-r-- root/root 4604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mw1_mih.sdf -rw-rw-r-- root/root 2473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mwi_b25.sdf -rw-rw-r-- root/root 3097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3my1_rfz.sdf -rw-rw-r-- root/root 2090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3my6_my6.sdf -rw-rw-r-- root/root 4285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3myg_eml.sdf -rw-rw-r-- root/root 3992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3myq_e27.sdf -rw-rw-r-- root/root 4086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3mzb_bhr.sdf -rw-rw-r-- root/root 3556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n0n_p9b.sdf -rw-rw-r-- root/root 2215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n0t_opy.sdf -rw-rw-r-- root/root 2447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n1v_3n1.sdf -rw-rw-r-- root/root 2325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n1w_3n2.sdf -rw-rw-r-- root/root 4584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n2e_osa.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n2p_ayx.sdf -rw-rw-r-- root/root 3873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n2r_xjh.sdf -rw-rw-r-- root/root 4404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n2u_d3x.sdf -rw-rw-r-- root/root 3459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n2v_jt5.sdf -rw-rw-r-- root/root 2710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n2y_tef.sdf -rw-rw-r-- root/root 1971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n31_fca.sdf -rw-rw-r-- root/root 2080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n33_aes.sdf -rw-rw-r-- root/root 2091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n36_gla.sdf -rw-rw-r-- root/root 3349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n3g_935.sdf -rw-rw-r-- root/root 3266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n45_3n3.sdf -rw-rw-r-- root/root 2590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n45_zol.sdf -rw-rw-r-- root/root 3267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n46_3n5.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n49_3n4.sdf -rw-rw-r-- root/root 2171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n59_3ds.sdf -rw-rw-r-- root/root 2804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n5h_go0.sdf -rw-rw-r-- root/root 2803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n5j_go1.sdf -rw-rw-r-- root/root 3750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n5p_xfm.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n5v_xfh.sdf -rw-rw-r-- root/root 3732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n5y_xfl.sdf -rw-rw-r-- root/root 3009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n6k_bfh.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n7a_fa1.sdf -rw-rw-r-- root/root 4079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n7o_n7o.sdf -rw-rw-r-- root/root 5464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n7r_n7r.sdf -rw-rw-r-- root/root 7124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n7s_3n6.sdf -rw-rw-r-- root/root 3798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n7s_3n7.sdf -rw-rw-r-- root/root 3442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n86_rjp.sdf -rw-rw-r-- root/root 3773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n87_n87.sdf -rw-rw-r-- root/root 1991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n8k_d1x.sdf -rw-rw-r-- root/root 2969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n8n_n88.sdf -rw-rw-r-- root/root 2440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n9r_td3.sdf -rw-rw-r-- root/root 2894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3n9s_td4.sdf -rw-rw-r-- root/root 4306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3na0_2dc.sdf -rw-rw-r-- root/root 4198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3na1_hcd.sdf -rw-rw-r-- root/root 5915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nal_dbk.sdf -rw-rw-r-- root/root 5070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nam_otk.sdf -rw-rw-r-- root/root 6183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nam_pty.sdf -rw-rw-r-- root/root 8628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nan_hz1.sdf -rw-rw-r-- root/root 4514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nay_mp6.sdf -rw-rw-r-- root/root 3559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nb5_r21.sdf -rw-rw-r-- root/root 4833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nbe_dld.sdf -rw-rw-r-- root/root 3249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nbk_pns.sdf -rw-rw-r-- root/root 4672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nbp_jgz.sdf -rw-rw-r-- root/root 2570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nbw_tr4.sdf -rw-rw-r-- root/root 1805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nc2_quz.sdf -rw-rw-r-- root/root 3659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nc4_26o.sdf -rw-rw-r-- root/root 1920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nc6_piw.sdf -rw-rw-r-- root/root 3731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nc9_tr3.sdf -rw-rw-r-- root/root 1846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nca_tr2.sdf -rw-rw-r-- root/root 3311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ncz_3nc.sdf -rw-rw-r-- root/root 2002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nd7_pny.sdf -rw-rw-r-- root/root 3930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ndm_3nd.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3neo_g24.sdf -rw-rw-r-- root/root 3399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nf6_imv.sdf -rw-rw-r-- root/root 3533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nf7_ciw.sdf -rw-rw-r-- root/root 3670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nf8_cdq.sdf -rw-rw-r-- root/root 3539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nf9_cd9.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nfa_cbj.sdf -rw-rw-r-- root/root 3740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nfb_oae.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nfr_ewq.sdf -rw-rw-r-- root/root 2749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nhf_vvv.sdf -rw-rw-r-- root/root 2559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nhj_a2z.sdf -rw-rw-r-- root/root 2853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nhk_vap.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nhl_ytr.sdf -rw-rw-r-- root/root 2749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nhp_hgz.sdf -rw-rw-r-- root/root 2853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nhr_rzw.sdf -rw-rw-r-- root/root 2454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nhu_m42.sdf -rw-rw-r-- root/root 2169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nhw_zxz.sdf -rw-rw-r-- root/root 2303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nhy_a7b.sdf -rw-rw-r-- root/root 2816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nif_nif.sdf -rw-rw-r-- root/root 3244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nj1_pyv.sdf -rw-rw-r-- root/root 3123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nj4_afx.sdf -rw-rw-r-- root/root 3100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3njo_p2m.sdf -rw-rw-r-- root/root 4418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3njq_njq.sdf -rw-rw-r-- root/root 2313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3njy_8xq.sdf -rw-rw-r-- root/root 3758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nko_nko.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nkq_nkq.sdf -rw-rw-r-- root/root 4599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nkr_nkr.sdf -rw-rw-r-- root/root 4037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nlb_5be.sdf -rw-rw-r-- root/root 3915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nld_jss.sdf -rw-rw-r-- root/root 4070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nlt_3xf.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nlu_3xb.sdf -rw-rw-r-- root/root 4166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nlv_3xa.sdf -rw-rw-r-- root/root 4163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nly_3xc.sdf -rw-rw-r-- root/root 2718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nly_h4b.sdf -rw-rw-r-- root/root 4036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nlz_3xd.sdf -rw-rw-r-- root/root 4103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nm0_3xe.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nmq_7pp.sdf -rw-rw-r-- root/root 1251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nn7_bxa.sdf -rw-rw-r-- root/root 4490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nnu_edb.sdf -rw-rw-r-- root/root 4289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nnv_437.sdf -rw-rw-r-- root/root 3785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nny_59r.sdf -rw-rw-r-- root/root 2081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nod_sci.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nox_6a5.sdf -rw-rw-r-- root/root 5345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3npr_ps7.sdf -rw-rw-r-- root/root 1784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nq9_oca.sdf -rw-rw-r-- root/root 3550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nr9_nr9.sdf -rw-rw-r-- root/root 4102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nri_dh7.sdf -rw-rw-r-- root/root 3182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nrm_nrm.sdf -rw-rw-r-- root/root 1849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ns1_pm6.sdf -rw-rw-r-- root/root 4012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ns9_ns9.sdf -rw-rw-r-- root/root 1917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nsg_tam.sdf -rw-rw-r-- root/root 2752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nsq_chz.sdf -rw-rw-r-- root/root 2131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nt5_ise.sdf -rw-rw-r-- root/root 2682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ntb_t1n.sdf -rw-rw-r-- root/root 1017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nte_i3m.sdf -rw-rw-r-- root/root 3531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ntg_d72.sdf -rw-rw-r-- root/root 4385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ntp_rzd.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nty_5p3.sdf -rw-rw-r-- root/root 4841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ntz_3tz.sdf -rw-rw-r-- root/root 4999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nu0_3tu.sdf -rw-rw-r-- root/root 2676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nun_jmz.sdf -rw-rw-r-- root/root 3372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nup_3nu.sdf -rw-rw-r-- root/root 1827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nus_jnz.sdf -rw-rw-r-- root/root 1964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nuu_joz.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nux_3nv.sdf -rw-rw-r-- root/root 1941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nuy_jpz.sdf -rw-rw-r-- root/root 1936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nvz_i3a.sdf -rw-rw-r-- root/root 2914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nw2_mpw.sdf -rw-rw-r-- root/root 4576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nw5_lgx.sdf -rw-rw-r-- root/root 4577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nw6_lgw.sdf -rw-rw-r-- root/root 4186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nw7_lgv.sdf -rw-rw-r-- root/root 5233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nw9_637.sdf -rw-rw-r-- root/root 5378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nwb_659.sdf -rw-rw-r-- root/root 5593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nwe_662.sdf -rw-rw-r-- root/root 4700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nww_3nw.sdf -rw-rw-r-- root/root 3000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nx7_nhk.sdf -rw-rw-r-- root/root 3521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nxo_d2b.sdf -rw-rw-r-- root/root 3553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nxt_d2e.sdf -rw-rw-r-- root/root 3620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nxv_d2f.sdf -rw-rw-r-- root/root 3535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nxx_d2d.sdf -rw-rw-r-- root/root 3656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nxy_d2h.sdf -rw-rw-r-- root/root 4530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ny4_smx.sdf -rw-rw-r-- root/root 3100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ny6_v30.sdf -rw-rw-r-- root/root 4004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ny7_sxm.sdf -rw-rw-r-- root/root 3084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ny8_jrz.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ny9_jsz.sdf -rw-rw-r-- root/root 2798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nya_jtz.sdf -rw-rw-r-- root/root 3629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nyx_tz1.sdf -rw-rw-r-- root/root 2094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nz1_3ny.sdf -rw-rw-r-- root/root 4319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nz6_d2j.sdf -rw-rw-r-- root/root 4316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nz9_d2k.sdf -rw-rw-r-- root/root 4532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nzb_d2n.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nzc_d2o.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nzs_nzs.sdf -rw-rw-r-- root/root 3895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3nzu_nzu.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o02_jn3.sdf -rw-rw-r-- root/root 3658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o0g_3o0.sdf -rw-rw-r-- root/root 3158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o0j_3oj.sdf -rw-rw-r-- root/root 3724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o0u_o47.sdf -rw-rw-r-- root/root 2562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o15_3nm.sdf -rw-rw-r-- root/root 2146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o15_ifp.sdf -rw-rw-r-- root/root 5737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o1d_g72.sdf -rw-rw-r-- root/root 4445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o23_mqy.sdf -rw-rw-r-- root/root 3468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o2f_p54.sdf -rw-rw-r-- root/root 3280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o2k_qrp.sdf -rw-rw-r-- root/root 4303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o2m_46a.sdf -rw-rw-r-- root/root 2527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o2n_mzx.sdf -rw-rw-r-- root/root 5697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o2x_3o2.sdf -rw-rw-r-- root/root 2514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o2y_plm.sdf -rw-rw-r-- root/root 2450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o3j_bb4.sdf -rw-rw-r-- root/root 4490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o50_lje.sdf -rw-rw-r-- root/root 5084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o51_ljf.sdf -rw-rw-r-- root/root 5198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o57_zg2.sdf -rw-rw-r-- root/root 7142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o5r_fk5.sdf -rw-rw-r-- root/root 5596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o5x_jzg.sdf -rw-rw-r-- root/root 5283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o64_786.sdf -rw-rw-r-- root/root 1684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o6j_hqn.sdf -rw-rw-r-- root/root 3273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o6o_94m.sdf -rw-rw-r-- root/root 4192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o73_o73.sdf -rw-rw-r-- root/root 4189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o76_gtb.sdf -rw-rw-r-- root/root 1817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o7u_o7u.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o8a_o8a.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o8g_o8g.sdf -rw-rw-r-- root/root 4977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o8h_o8h.sdf -rw-rw-r-- root/root 1925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o8i_m1t.sdf -rw-rw-r-- root/root 3729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o95_01t.sdf -rw-rw-r-- root/root 5739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o96_iqo.sdf -rw-rw-r-- root/root 5375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o99_k13.sdf -rw-rw-r-- root/root 5483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o9a_k14.sdf -rw-rw-r-- root/root 5502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o9b_k2a.sdf -rw-rw-r-- root/root 5637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o9c_k20.sdf -rw-rw-r-- root/root 5644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o9d_k19.sdf -rw-rw-r-- root/root 5465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o9e_a60.sdf -rw-rw-r-- root/root 5571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o9f_k2d.sdf -rw-rw-r-- root/root 5589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o9g_f53.sdf -rw-rw-r-- root/root 5725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o9h_k2e.sdf -rw-rw-r-- root/root 5733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o9i_a61.sdf -rw-rw-r-- root/root 3466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o9j_rp6.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o9k_ett.sdf -rw-rw-r-- root/root 5896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o9l_lpn.sdf -rw-rw-r-- root/root 1675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o9m_bez.sdf -rw-rw-r-- root/root 3394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3o9v_10t.sdf -rw-rw-r-- root/root 6108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oad_lpo.sdf -rw-rw-r-- root/root 6132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oag_lpq.sdf -rw-rw-r-- root/root 3162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oaw_oaw.sdf -rw-rw-r-- root/root 2332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oax_id3.sdf -rw-rw-r-- root/root 3450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oc0_b2q.sdf -rw-rw-r-- root/root 4024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ocb_xm1.sdf -rw-rw-r-- root/root 3231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3occ_dih.sdf -rw-rw-r-- root/root 4199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ocg_ocg.sdf -rw-rw-r-- root/root 9440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3och_2mx.sdf -rw-rw-r-- root/root 3504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ocw_3am.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ocx_2am.sdf -rw-rw-r-- root/root 3432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ocz_sra.sdf -rw-rw-r-- root/root 2369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3odk_odk.sdf -rw-rw-r-- root/root 4652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oe4_610.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oe5_611.sdf -rw-rw-r-- root/root 3891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oe8_itd.sdf -rw-rw-r-- root/root 1826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oel_dgl.sdf -rw-rw-r-- root/root 1837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oem_oem.sdf -rw-rw-r-- root/root 6104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ogq_ab1.sdf -rw-rw-r-- root/root 4616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ogt_fmv.sdf -rw-rw-r-- root/root 3555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ohl_ohl.sdf -rw-rw-r-- root/root 2636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oho_z79.sdf -rw-rw-r-- root/root 3300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oi7_oi7.sdf -rw-rw-r-- root/root 4593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oia_a31.sdf -rw-rw-r-- root/root 3848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oil_vz5.sdf -rw-rw-r-- root/root 4165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ojf_imj.sdf -rw-rw-r-- root/root 8670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ojs_xjs.sdf -rw-rw-r-- root/root 5463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oju_ssj.sdf -rw-rw-r-- root/root 4816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3okh_okh.sdf -rw-rw-r-- root/root 4428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oki_oki.sdf -rw-rw-r-- root/root 3826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oku_vz4.sdf -rw-rw-r-- root/root 5291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ol5_saw.sdf -rw-rw-r-- root/root 5166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3olf_olf.sdf -rw-rw-r-- root/root 3091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ols_est.sdf -rw-rw-r-- root/root 3162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3olt_acd.sdf -rw-rw-r-- root/root 3791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3olu_1ag.sdf -rw-rw-r-- root/root 2317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3omc_2mr.sdf -rw-rw-r-- root/root 4815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3omk_omk.sdf -rw-rw-r-- root/root 5160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3omm_omm.sdf -rw-rw-r-- root/root 2688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3omo_wv7.sdf -rw-rw-r-- root/root 2688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3omp_w14.sdf -rw-rw-r-- root/root 2811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3omq_w23.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3omu_ibd.sdf -rw-rw-r-- root/root 4576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oob_kdh.sdf -rw-rw-r-- root/root 5034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oof_oof.sdf -rw-rw-r-- root/root 5277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ook_ook.sdf -rw-rw-r-- root/root 3643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oom_507.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oot_ssr.sdf -rw-rw-r-- root/root 3676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3op5_reb.sdf -rw-rw-r-- root/root 3970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3opm_lui.sdf -rw-rw-r-- root/root 3872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oq1_3oq.sdf -rw-rw-r-- root/root 4201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oqf_s51.sdf -rw-rw-r-- root/root 2452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oqj_3cx.sdf -rw-rw-r-- root/root 4199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oqk_s52.sdf -rw-rw-r-- root/root 4451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3orn_3or.sdf -rw-rw-r-- root/root 4512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oro_ags.sdf -rw-rw-r-- root/root 4318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3os3_3os.sdf -rw-rw-r-- root/root 3932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3os8_kn0.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3osa_kn3.sdf -rw-rw-r-- root/root 3215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3osh_oin.sdf -rw-rw-r-- root/root 3585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ot3_22k.sdf -rw-rw-r-- root/root 4064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ot8_mi5.sdf -rw-rw-r-- root/root 3935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3otq_mzl.sdf -rw-rw-r-- root/root 2952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ouh_014.sdf -rw-rw-r-- root/root 2821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oui_42z.sdf -rw-rw-r-- root/root 3012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ovm_mzc.sdf -rw-rw-r-- root/root 2319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ovr_5sp.sdf -rw-rw-r-- root/root 2084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ovv_1sb.sdf -rw-rw-r-- root/root 1381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ovv_bud.sdf -rw-rw-r-- root/root 4212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ovz_o96.sdf -rw-rw-r-- root/root 4313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ow3_smy.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3owd_mey.sdf -rw-rw-r-- root/root 3132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3owh_52x.sdf -rw-rw-r-- root/root 3177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3owj_1el.sdf -rw-rw-r-- root/root 2986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3owk_18e.sdf -rw-rw-r-- root/root 2986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3owl_19e.sdf -rw-rw-r-- root/root 6366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3own_3ox.sdf -rw-rw-r-- root/root 2028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3owp_2sb.sdf -rw-rw-r-- root/root 3960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3owx_xra.sdf -rw-rw-r-- root/root 3114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ox1_695.sdf -rw-rw-r-- root/root 3240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ox2_79x.sdf -rw-rw-r-- root/root 3915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ox3_4x4.sdf -rw-rw-r-- root/root 2783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oxi_syy.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oxt_3sb.sdf -rw-rw-r-- root/root 4829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oy1_589.sdf -rw-rw-r-- root/root 5512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oy3_xy3.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oya_rlt.sdf -rw-rw-r-- root/root 3618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oyc_zzw.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oyd_zzv.sdf -rw-rw-r-- root/root 4658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oye_zyy.sdf -rw-rw-r-- root/root 4236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oyf_zyp.sdf -rw-rw-r-- root/root 4926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oyg_zyo.sdf -rw-rw-r-- root/root 4283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oyh_zyn.sdf -rw-rw-r-- root/root 4438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oyl_zzx.sdf -rw-rw-r-- root/root 4593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oz0_3oz.sdf -rw-rw-r-- root/root 6043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3oz1_bmb.sdf -rw-rw-r-- root/root 3270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ozg_ssi.sdf -rw-rw-r-- root/root 3448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ozj_bgv.sdf -rw-rw-r-- root/root 3588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ozr_ozr.sdf -rw-rw-r-- root/root 4684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ozs_ozs.sdf -rw-rw-r-- root/root 4432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ozt_ozz.sdf -rw-rw-r-- root/root 3627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ozu_x89.sdf -rw-rw-r-- root/root 3510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ozv_ecn.sdf -rw-rw-r-- root/root 5832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ozw_dgg.sdf -rw-rw-r-- root/root 4955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ozw_kkk.sdf -rw-rw-r-- root/root 3921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p0g_p0g.sdf -rw-rw-r-- root/root 1499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p0m_4sb.sdf -rw-rw-r-- root/root 3170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p0p_nnf.sdf -rw-rw-r-- root/root 3069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p0q_nnl.sdf -rw-rw-r-- root/root 2102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p1f_3pf.sdf -rw-rw-r-- root/root 3707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p2b_p2b.sdf -rw-rw-r-- root/root 3291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p2v_doy.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p3g_3p3.sdf -rw-rw-r-- root/root 3028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p3r_3m1.sdf -rw-rw-r-- root/root 2878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p3s_3m2.sdf -rw-rw-r-- root/root 2797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p3t_3m3.sdf -rw-rw-r-- root/root 3005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p3u_3m4.sdf -rw-rw-r-- root/root 1869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p4w_dsf.sdf -rw-rw-r-- root/root 5336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p50_plc.sdf -rw-rw-r-- root/root 4552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p5k_p5k.sdf -rw-rw-r-- root/root 4232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p5r_fgg.sdf -rw-rw-r-- root/root 2290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p6d_zgb.sdf -rw-rw-r-- root/root 2162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p6e_zgc.sdf -rw-rw-r-- root/root 2066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p6f_fbz.sdf -rw-rw-r-- root/root 5105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p6n_dso.sdf -rw-rw-r-- root/root 5172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p6o_etg.sdf -rw-rw-r-- root/root 4924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p6p_a6b.sdf -rw-rw-r-- root/root 5249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p6t_sbf.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p6x_c3q.sdf -rw-rw-r-- root/root 4360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p76_p76.sdf -rw-rw-r-- root/root 4551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p78_p78.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p79_p79.sdf -rw-rw-r-- root/root 4308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p7a_p7a.sdf -rw-rw-r-- root/root 4543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p7b_p7b.sdf -rw-rw-r-- root/root 4994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p88_p88.sdf -rw-rw-r-- root/root 5011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p89_89p.sdf -rw-rw-r-- root/root 3033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p8h_p8h.sdf -rw-rw-r-- root/root 7562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p8n_l4t.sdf -rw-rw-r-- root/root 7428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p8o_l5t.sdf -rw-rw-r-- root/root 2444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p8p_ln6.sdf -rw-rw-r-- root/root 4327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p8x_zyd.sdf -rw-rw-r-- root/root 3486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3p9j_p9j.sdf -rw-rw-r-- root/root 3798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pa3_c70.sdf -rw-rw-r-- root/root 3797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pa4_c72.sdf -rw-rw-r-- root/root 3675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pa5_c73.sdf -rw-rw-r-- root/root 1618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pa9_pj7.sdf -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pa9_pmp.sdf -rw-rw-r-- root/root 2215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pah_xde.sdf -rw-rw-r-- root/root 1900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pax_3mb.sdf -rw-rw-r-- root/root 1990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pb8_ahn.sdf -rw-rw-r-- root/root 3616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pba_zxg.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pbb_pbd.sdf -rw-rw-r-- root/root 3417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pbl_etq.sdf -rw-rw-r-- root/root 2388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pbz_f02.sdf -rw-rw-r-- root/root 1809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pcb_3hb.sdf -rw-rw-r-- root/root 1928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pce_3hp.sdf -rw-rw-r-- root/root 1936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pcf_fhb.sdf -rw-rw-r-- root/root 1941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pch_chb.sdf -rw-rw-r-- root/root 1932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pci_ihb.sdf -rw-rw-r-- root/root 1989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pcj_ino.sdf -rw-rw-r-- root/root 1989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pck_nno.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pcu_lx8.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pcw_fbf.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pd4_a3g.sdf -rw-rw-r-- root/root 2219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pd8_ha7.sdf -rw-rw-r-- root/root 2220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pd9_ha5.sdf -rw-rw-r-- root/root 2922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pdc_zyi.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pdj_3pj.sdf -rw-rw-r-- root/root 3148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pdq_kc6.sdf -rw-rw-r-- root/root 3626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pe1_3ng.sdf -rw-rw-r-- root/root 3724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pe2_e1b.sdf -rw-rw-r-- root/root 4599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pe6_zyh.sdf -rw-rw-r-- root/root 6887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pec_zyg.sdf -rw-rw-r-- root/root 7120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ped_zyf.sdf -rw-rw-r-- root/root 5075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3peq_3eq.sdf -rw-rw-r-- root/root 2843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pfp_035.sdf -rw-rw-r-- root/root 2842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pfp_036.sdf -rw-rw-r-- root/root 2917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pgi_f41.sdf -rw-rw-r-- root/root 3655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pgl_rzx.sdf -rw-rw-r-- root/root 3437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pgq_gy3.sdf -rw-rw-r-- root/root 5501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3phe_c9a.sdf -rw-rw-r-- root/root 2102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3phj_dhk.sdf -rw-rw-r-- root/root 4189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pi5_3p5.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pix_027.sdf -rw-rw-r-- root/root 4318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3piz_03c.sdf -rw-rw-r-- root/root 4803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pj1_lhl.sdf -rw-rw-r-- root/root 4772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pj2_04k.sdf -rw-rw-r-- root/root 4897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pj3_04l.sdf -rw-rw-r-- root/root 3784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pj8_404.sdf -rw-rw-r-- root/root 4490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pjc_pjc.sdf -rw-rw-r-- root/root 4224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pka_y02.sdf -rw-rw-r-- root/root 4298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pkc_y08.sdf -rw-rw-r-- root/root 3911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pkd_y10.sdf -rw-rw-r-- root/root 2079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pld_f90.sdf -rw-rw-r-- root/root 2077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pll_f06.sdf -rw-rw-r-- root/root 4114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3plz_470.sdf -rw-rw-r-- root/root 2897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pm4_f5n.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pml_1gc.sdf -rw-rw-r-- root/root 2812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pmu_f7l.sdf -rw-rw-r-- root/root 2884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pmy_41l.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pn1_ivh.sdf -rw-rw-r-- root/root 3145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pn3_pn3.sdf -rw-rw-r-- root/root 4188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pne_8ax.sdf -rw-rw-r-- root/root 4181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pnf_8bx.sdf -rw-rw-r-- root/root 4069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pnh_8cx.sdf -rw-rw-r-- root/root 4087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3po4_dds.sdf -rw-rw-r-- root/root 3402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3poo_s69.sdf -rw-rw-r-- root/root 4687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pp0_03q.sdf -rw-rw-r-- root/root 4043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pp1_izg.sdf -rw-rw-r-- root/root 4211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ppk_fni.sdf -rw-rw-r-- root/root 3577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ppm_jg1.sdf -rw-rw-r-- root/root 2020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ppo_dck.sdf -rw-rw-r-- root/root 4358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pr2_7mn.sdf -rw-rw-r-- root/root 3807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pre_3re.sdf -rw-rw-r-- root/root 3494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3prf_fp3.sdf -rw-rw-r-- root/root 4109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pri_fp4.sdf -rw-rw-r-- root/root 3039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3prz_3rz.sdf -rw-rw-r-- root/root 4016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ps1_zh2.sdf -rw-rw-r-- root/root 3981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ps2_zh4.sdf -rw-rw-r-- root/root 3980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ps3_l53.sdf -rw-rw-r-- root/root 3370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ps6_3ps.sdf -rw-rw-r-- root/root 3749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3psb_sm6.sdf -rw-rw-r-- root/root 4996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3psy_rb9.sdf -rw-rw-r-- root/root 3791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ptg_932.sdf -rw-rw-r-- root/root 3557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ptq_nfg.sdf -rw-rw-r-- root/root 4736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pup_os1.sdf -rw-rw-r-- root/root 2670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pvg_k68.sdf -rw-rw-r-- root/root 4662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pvu_qrw.sdf -rw-rw-r-- root/root 4661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pvw_qrx.sdf -rw-rw-r-- root/root 3016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pwd_cz0.sdf -rw-rw-r-- root/root 3665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pwh_zma.sdf -rw-rw-r-- root/root 2437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3px8_jp2.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3px9_jp3.sdf -rw-rw-r-- root/root 2467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pxk_pxk.sdf -rw-rw-r-- root/root 4238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pyb_a3c.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pyh_3yh.sdf -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pyy_3yy.sdf -rw-rw-r-- root/root 7084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pz3_pz3.sdf -rw-rw-r-- root/root 5185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pz4_3pz.sdf -rw-rw-r-- root/root 2778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3pze_cfk.sdf -rw-rw-r-- root/root 3796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q0t_lge.sdf -rw-rw-r-- root/root 3637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q0u_ll3.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q0v_ll4.sdf -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q0w_ll5.sdf -rw-rw-r-- root/root 2063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q1m_m4a.sdf -rw-rw-r-- root/root 3182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q2f_oam.sdf -rw-rw-r-- root/root 4968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q2g_qgf.sdf -rw-rw-r-- root/root 4849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q2h_qhf.sdf -rw-rw-r-- root/root 5416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q2z_d9a.sdf -rw-rw-r-- root/root 5808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q30_d61.sdf -rw-rw-r-- root/root 4863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q32_j2i.sdf -rw-rw-r-- root/root 4648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q3d_puy.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q3k_d90.sdf -rw-rw-r-- root/root 3945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q3s_o8b.sdf -rw-rw-r-- root/root 4879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q3t_rx0.sdf -rw-rw-r-- root/root 3533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q43_d66.sdf -rw-rw-r-- root/root 4215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q44_d50.sdf -rw-rw-r-- root/root 5013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q4b_rx5.sdf -rw-rw-r-- root/root 4908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q4c_rsw.sdf -rw-rw-r-- root/root 4296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q4u_ldn.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q5h_rx6.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q5r_kan.sdf -rw-rw-r-- root/root 1817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q5s_ach.sdf -rw-rw-r-- root/root 5174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q6w_q6w.sdf -rw-rw-r-- root/root 3663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q6x_zz7.sdf -rw-rw-r-- root/root 4518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q6y_s47.sdf -rw-rw-r-- root/root 4475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q77_2hy.sdf -rw-rw-r-- root/root 2672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q7d_npx.sdf -rw-rw-r-- root/root 4404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q7j_fbo.sdf -rw-rw-r-- root/root 3957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q8h_ao9.sdf -rw-rw-r-- root/root 4281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q92_xnb.sdf -rw-rw-r-- root/root 5375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q96_0nf.sdf -rw-rw-r-- root/root 2179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q9c_q9c.sdf -rw-rw-r-- root/root 905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q9e_sp5.sdf -rw-rw-r-- root/root 1710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3q9k_fte.sdf -rw-rw-r-- root/root 4152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qa2_xna.sdf -rw-rw-r-- root/root 5613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qaa_g04.sdf -rw-rw-r-- root/root 4448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qai_xnn.sdf -rw-rw-r-- root/root 7431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qak_uka.sdf -rw-rw-r-- root/root 3973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qaq_qaq.sdf -rw-rw-r-- root/root 3512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qar_qar.sdf -rw-rw-r-- root/root 5249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qbf_jhg.sdf -rw-rw-r-- root/root 3664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qbj_nxz.sdf -rw-rw-r-- root/root 3408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qbn_e9z.sdf -rw-rw-r-- root/root 5194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qc4_mp7.sdf -rw-rw-r-- root/root 2804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qce_nxy.sdf -rw-rw-r-- root/root 3280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qch_nx2.sdf -rw-rw-r-- root/root 3974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qci_nx3.sdf -rw-rw-r-- root/root 4429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qcj_nx4.sdf -rw-rw-r-- root/root 2885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qck_nx5.sdf -rw-rw-r-- root/root 3483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qcl_nxv.sdf -rw-rw-r-- root/root 4914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qcm_nxw.sdf -rw-rw-r-- root/root 3041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qcq_3q0.sdf -rw-rw-r-- root/root 3401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qcs_3q1.sdf -rw-rw-r-- root/root 3564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qcx_3q2.sdf -rw-rw-r-- root/root 4500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qcy_3q3.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qd0_3q4.sdf -rw-rw-r-- root/root 4519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qd3_3q5.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qd4_3q6.sdf -rw-rw-r-- root/root 2304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qe4_4cf.sdf -rw-rw-r-- root/root 3479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qel_qel.sdf -rw-rw-r-- root/root 3625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qem_qem.sdf -rw-rw-r-- root/root 2744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qen_5bt.sdf -rw-rw-r-- root/root 2841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qeo_llt.sdf -rw-rw-r-- root/root 1358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qf1_pze.sdf -rw-rw-r-- root/root 4185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qf9_nm8.sdf -rw-rw-r-- root/root 2926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qfv_nm7.sdf -rw-rw-r-- root/root 5245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qgd_26s.sdf -rw-rw-r-- root/root 5601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qge_26f.sdf -rw-rw-r-- root/root 5268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qgf_46f.sdf -rw-rw-r-- root/root 6216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qgg_63f.sdf -rw-rw-r-- root/root 6320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qgi_33f.sdf -rw-rw-r-- root/root 3274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qgw_l7a.sdf -rw-rw-r-- root/root 4179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qgw_pqc.sdf -rw-rw-r-- root/root 4311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qgy_l7o.sdf -rw-rw-r-- root/root 2863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qh5_nx6.sdf -rw-rw-r-- root/root 3577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qi3_pdb.sdf -rw-rw-r-- root/root 2026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qih_fg7.sdf -rw-rw-r-- root/root 3897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qih_ni7.sdf -rw-rw-r-- root/root 3251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qio_qid.sdf -rw-rw-r-- root/root 3870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qip_p4y.sdf -rw-rw-r-- root/root 3433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qiy_qi1.sdf -rw-rw-r-- root/root 4371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qiz_qi2.sdf -rw-rw-r-- root/root 3876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qj0_qi3.sdf -rw-rw-r-- root/root 4335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qj5_022.sdf -rw-rw-r-- root/root 4596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qj9_qj9.sdf -rw-rw-r-- root/root 3155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qjz_qjz.sdf -rw-rw-r-- root/root 4342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qk0_qk0.sdf -rw-rw-r-- root/root 4749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qk5_qk5.sdf -rw-rw-r-- root/root 7493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qkd_hi0.sdf -rw-rw-r-- root/root 5212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qkk_smh.sdf -rw-rw-r-- root/root 5367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qkl_smr.sdf -rw-rw-r-- root/root 5526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qkm_sm9.sdf -rw-rw-r-- root/root 4668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qlf_pd5.sdf -rw-rw-r-- root/root 3719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qlr_qlr.sdf -rw-rw-r-- root/root 3778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qls_55v.sdf -rw-rw-r-- root/root 3125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qmo_ns4.sdf -rw-rw-r-- root/root 2659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qna_bio.sdf -rw-rw-r-- root/root 2152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qoa_3qo.sdf -rw-rw-r-- root/root 4127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qp0_ni8.sdf -rw-rw-r-- root/root 3534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qpg_3qp.sdf -rw-rw-r-- root/root 5145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qpj_n4i.sdf -rw-rw-r-- root/root 3556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qpn_pfk.sdf -rw-rw-r-- root/root 4557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qpo_pfr.sdf -rw-rw-r-- root/root 5012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qpp_pfw.sdf -rw-rw-r-- root/root 3412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qqp_s05.sdf -rw-rw-r-- root/root 2849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qqs_17c.sdf -rw-rw-r-- root/root 1726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qqs_dpo.sdf -rw-rw-r-- root/root 4411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qqu_01p.sdf -rw-rw-r-- root/root 5483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qri_919.sdf -rw-rw-r-- root/root 4735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qrk_9dp.sdf -rw-rw-r-- root/root 5485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qrm_nk7.sdf -rw-rw-r-- root/root 1616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qro_dtd.sdf -rw-rw-r-- root/root 5265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qro_nk9.sdf -rw-rw-r-- root/root 5377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qrs_nk8.sdf -rw-rw-r-- root/root 4045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qrt_x14.sdf -rw-rw-r-- root/root 2498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qs8_17d.sdf -rw-rw-r-- root/root 2637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qsa_ta7.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qsb_743.sdf -rw-rw-r-- root/root 4629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qt0_486.sdf -rw-rw-r-- root/root 4186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qtf_05s.sdf -rw-rw-r-- root/root 3729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qti_3qt.sdf -rw-rw-r-- root/root 1556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qu8_3qu.sdf -rw-rw-r-- root/root 4258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3que_3ff.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qup_lun.sdf -rw-rw-r-- root/root 5716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qv6_qv6.sdf -rw-rw-r-- root/root 5717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qv7_qv7.sdf -rw-rw-r-- root/root 2651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qv8_s62.sdf -rw-rw-r-- root/root 2297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qvv_3qv.sdf -rw-rw-r-- root/root 5890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qx3_evp.sdf -rw-rw-r-- root/root 1922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qxx_8ac.sdf -rw-rw-r-- root/root 3473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qyk_ie2.sdf -rw-rw-r-- root/root 2249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qyl_7me.sdf -rw-rw-r-- root/root 2055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qyo_q24.sdf -rw-rw-r-- root/root 2658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qyw_6pb.sdf -rw-rw-r-- root/root 3329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3qyz_z8b.sdf -rw-rw-r-- root/root 2438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r01_une.sdf -rw-rw-r-- root/root 3193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r02_unm.sdf -rw-rw-r-- root/root 3776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r04_unq.sdf -rw-rw-r-- root/root 5841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r0f_ag7.sdf -rw-rw-r-- root/root 3064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r0i_c0k.sdf -rw-rw-r-- root/root 4499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r0t_fu9.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r1n_05b.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r21_d36.sdf -rw-rw-r-- root/root 3977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r22_d37.sdf -rw-rw-r-- root/root 3846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r30_cd2.sdf -rw-rw-r-- root/root 2251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r33_6me.sdf -rw-rw-r-- root/root 1927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r49_q8a.sdf -rw-rw-r-- root/root 2154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r4g_4so.sdf -rw-rw-r-- root/root 4624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r4o_fu3.sdf -rw-rw-r-- root/root 4741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r4p_fu7.sdf -rw-rw-r-- root/root 1496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r54_fp6.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r57_n3m.sdf -rw-rw-r-- root/root 2669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r58_nps.sdf -rw-rw-r-- root/root 1820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r59_3ao.sdf -rw-rw-r-- root/root 2983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r5m_mlo.sdf -rw-rw-r-- root/root 1238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r5q_fu1.sdf -rw-rw-r-- root/root 3605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r6c_17n.sdf -rw-rw-r-- root/root 5132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r6t_lu1.sdf -rw-rw-r-- root/root 2528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r7l_pal.sdf -rw-rw-r-- root/root 5452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r7o_m61.sdf -rw-rw-r-- root/root 3488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r7q_fav.sdf -rw-rw-r-- root/root 4104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r7r_faz.sdf -rw-rw-r-- root/root 2286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r88_14f.sdf -rw-rw-r-- root/root 4636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r8a_hig.sdf -rw-rw-r-- root/root 3027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r8h_zom.sdf -rw-rw-r-- root/root 4376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r8i_xcx.sdf -rw-rw-r-- root/root 4408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r91_06h.sdf -rw-rw-r-- root/root 4451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3r92_06j.sdf -rw-rw-r-- root/root 3725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rad_nfx.sdf -rw-rw-r-- root/root 3839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ral_04z.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ras_dcv.sdf -rw-rw-r-- root/root 3052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ras_fm5.sdf -rw-rw-r-- root/root 5856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rba_cod.sdf -rw-rw-r-- root/root 2854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rcf_bs4.sdf -rw-rw-r-- root/root 1499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rci_m3i.sdf -rw-rw-r-- root/root 3151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rcj_3rc.sdf -rw-rw-r-- root/root 1608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rck_1fp.sdf -rw-rw-r-- root/root 2053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rcl_5ao.sdf -rw-rw-r-- root/root 2696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rd9_msy.sdf -rw-rw-r-- root/root 1494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rda_mio.sdf -rw-rw-r-- root/root 2333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rdb_5mz.sdf -rw-rw-r-- root/root 2743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rdd_ea4.sdf -rw-rw-r-- root/root 2605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rdp_nmf.sdf -rw-rw-r-- root/root 3258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3re4_to1.sdf -rw-rw-r-- root/root 4283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rey_xac.sdf -rw-rw-r-- root/root 2309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rfm_cff.sdf -rw-rw-r-- root/root 3837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rga_lsb.sdf -rw-rw-r-- root/root 4446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rgf_bax.sdf -rw-rw-r-- root/root 2096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rgt_ez4.sdf -rw-rw-r-- root/root 3186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rh4_ddg.sdf -rw-rw-r-- root/root 3963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rhk_m97.sdf -rw-rw-r-- root/root 3150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rhx_3rh.sdf -rw-rw-r-- root/root 7774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ric_cis.sdf -rw-rw-r-- root/root 2355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rik_3ri.sdf -rw-rw-r-- root/root 1993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ril_3rk.sdf -rw-rw-r-- root/root 3928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rin_i2o.sdf -rw-rw-r-- root/root 4871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rix_923.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rji_6cf.sdf -rw-rw-r-- root/root 5008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rjw_ciq.sdf -rw-rw-r-- root/root 2297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rke_mzz.sdf -rw-rw-r-- root/root 2894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rlb_vib.sdf -rw-rw-r-- root/root 3948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rlj_rlj.sdf -rw-rw-r-- root/root 4441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rll_rll.sdf -rw-rw-r-- root/root 3265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rm4_3rm.sdf -rw-rw-r-- root/root 4231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rm6_18z.sdf -rw-rw-r-- root/root 3362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rm8_rm8.sdf -rw-rw-r-- root/root 2539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rm9_613.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rme_rme.sdf -rw-rw-r-- root/root 4098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rmf_20z.sdf -rw-rw-r-- root/root 1983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rn6_iga.sdf -rw-rw-r-- root/root 3692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ro4_lj9.sdf -rw-rw-r-- root/root 4458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ro5_lgh.sdf -rw-rw-r-- root/root 1707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ro7_tdr.sdf -rw-rw-r-- root/root 4349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3roc_29a.sdf -rw-rw-r-- root/root 3214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rog_t3p.sdf -rw-rw-r-- root/root 3815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3roy_22z.sdf -rw-rw-r-- root/root 3865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rpo_24z.sdf -rw-rw-r-- root/root 2673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rps_4b0.sdf -rw-rw-r-- root/root 3745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rpv_26z.sdf -rw-rw-r-- root/root 4106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rqj_y2b.sdf -rw-rw-r-- root/root 4102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rqk_x2c.sdf -rw-rw-r-- root/root 4112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rqo_x2d.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rqp_x2e.sdf -rw-rw-r-- root/root 2787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rr3_flr.sdf -rw-rw-r-- root/root 2831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rr4_hrd.sdf -rw-rw-r-- root/root 4499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rsv_3rs.sdf -rw-rw-r-- root/root 3448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rti_fmp.sdf -rw-rw-r-- root/root 3911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rtp_34i.sdf -rw-rw-r-- root/root 2629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rts_klg.sdf -rw-rw-r-- root/root 3015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rtt_klh.sdf -rw-rw-r-- root/root 4939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rut_59g.sdf -rw-rw-r-- root/root 4926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ruu_37g.sdf -rw-rw-r-- root/root 3246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rv6_rva.sdf -rw-rw-r-- root/root 3246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rv6_vae.sdf -rw-rw-r-- root/root 2910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rv7_rvb.sdf -rw-rw-r-- root/root 2946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rv8_rvc.sdf -rw-rw-r-- root/root 2799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rv9_rvd.sdf -rw-rw-r-- root/root 4925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rvf_034.sdf -rw-rw-r-- root/root 4111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rvg_17p.sdf -rw-rw-r-- root/root 3038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rvh_hq2.sdf -rw-rw-r-- root/root 2124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rwb_4pl.sdf -rw-rw-r-- root/root 4788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rwp_abq.sdf -rw-rw-r-- root/root 4229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rwq_3rw.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rx2_slo.sdf -rw-rw-r-- root/root 2823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rye_unr.sdf -rw-rw-r-- root/root 3442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ryz_ryz.sdf -rw-rw-r-- root/root 3769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rz1_rz1.sdf -rw-rw-r-- root/root 4115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rz7_rz7.sdf -rw-rw-r-- root/root 3174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3rze_5eh.sdf -rw-rw-r-- root/root 1872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s04_ram.sdf -rw-rw-r-- root/root 6586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s0k_03f.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s0n_0bb.sdf -rw-rw-r-- root/root 2598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s1g_ite.sdf -rw-rw-r-- root/root 3839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s1h_56z.sdf -rw-rw-r-- root/root 4659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s2a_2nq.sdf -rw-rw-r-- root/root 3834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s2v_3hu.sdf -rw-rw-r-- root/root 2844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s3g_tlt.sdf -rw-rw-r-- root/root 3758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s3i_cq0.sdf -rw-rw-r-- root/root 4237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s3n_dlu.sdf -rw-rw-r-- root/root 4451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s41_s41.sdf -rw-rw-r-- root/root 1524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s42_mla.sdf -rw-rw-r-- root/root 1728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s4f_pzr.sdf -rw-rw-r-- root/root 2717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s4j_unv.sdf -rw-rw-r-- root/root 4469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s4q_nk0.sdf -rw-rw-r-- root/root 4788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s7a_684.sdf -rw-rw-r-- root/root 5294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s7b_nh5.sdf -rw-rw-r-- root/root 3894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s7l_591.sdf -rw-rw-r-- root/root 6102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s7o_lbv.sdf -rw-rw-r-- root/root 3402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s7s_exm.sdf -rw-rw-r-- root/root 4316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s92_jq1.sdf -rw-rw-r-- root/root 4317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s9s_m0t.sdf -rw-rw-r-- root/root 3391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s9t_e49.sdf -rw-rw-r-- root/root 2423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3s9z_i92.sdf -rw-rw-r-- root/root 2879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sa0_nra.sdf -rw-rw-r-- root/root 5565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sa3_23x.sdf -rw-rw-r-- root/root 5558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sa4_f72.sdf -rw-rw-r-- root/root 5441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sa6_f71.sdf -rw-rw-r-- root/root 5548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sa7_55a.sdf -rw-rw-r-- root/root 5039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sa8_k83.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sa9_a68.sdf -rw-rw-r-- root/root 5410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3saa_77f.sdf -rw-rw-r-- root/root 5610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sab_f78.sdf -rw-rw-r-- root/root 5314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sac_af8.sdf -rw-rw-r-- root/root 2417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sad_040.sdf -rw-rw-r-- root/root 3460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sap_e2i.sdf -rw-rw-r-- root/root 3379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sax_e50.sdf -rw-rw-r-- root/root 4162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3say_oft.sdf -rw-rw-r-- root/root 2423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3saz_043.sdf -rw-rw-r-- root/root 2690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sb0_i93.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sc1_3s1.sdf -rw-rw-r-- root/root 2018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3scs_glf.sdf -rw-rw-r-- root/root 7375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3scu_ce5.sdf -rw-rw-r-- root/root 1833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3scz_hpa.sdf -rw-rw-r-- root/root 4238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sd0_tsk.sdf -rw-rw-r-- root/root 4061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sd5_sd5.sdf -rw-rw-r-- root/root 7052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sdf_ltc.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sdg_3se.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sdv_911.sdf -rw-rw-r-- root/root 7191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sdx_gcy.sdf -rw-rw-r-- root/root 3389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sec_pfu.sdf -rw-rw-r-- root/root 5247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sfc_s53.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sff_0di.sdf -rw-rw-r-- root/root 3311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sfh_1di.sdf -rw-rw-r-- root/root 3630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sfi_3sf.sdf -rw-rw-r-- root/root 3642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sfk_d67.sdf -rw-rw-r-- root/root 3799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sgt_p09.sdf -rw-rw-r-- root/root 4152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sgv_2bj.sdf -rw-rw-r-- root/root 4596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sgx_0fw.sdf -rw-rw-r-- root/root 3969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sgy_06w.sdf -rw-rw-r-- root/root 3247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sh0_sax.sdf -rw-rw-r-- root/root 3830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sh2_5dr.sdf -rw-rw-r-- root/root 2525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sh7_bb0.sdf -rw-rw-r-- root/root 4795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3she_i85.sdf -rw-rw-r-- root/root 4203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3shy_5fo.sdf -rw-rw-r-- root/root 4208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3shz_5co.sdf -rw-rw-r-- root/root 4206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sie_5bo.sdf -rw-rw-r-- root/root 4224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sjf_jrg.sdf -rw-rw-r-- root/root 3355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sjg_sdr.sdf -rw-rw-r-- root/root 2369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sjt_5ab.sdf -rw-rw-r-- root/root 3053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sjx_qrg.sdf -rw-rw-r-- root/root 3116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sk2_gri.sdf -rw-rw-r-- root/root 4373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ska_053.sdf -rw-rw-r-- root/root 4449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3skc_br2.sdf -rw-rw-r-- root/root 4882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ske_054.sdf -rw-rw-r-- root/root 3827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3skh_058.sdf -rw-rw-r-- root/root 2623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3skk_4u7.sdf -rw-rw-r-- root/root 4105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sl4_jn4.sdf -rw-rw-r-- root/root 3975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sl5_j25.sdf -rw-rw-r-- root/root 4388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sl6_jn8.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sl8_jn7.sdf -rw-rw-r-- root/root 1836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3slh_gpj.sdf -rw-rw-r-- root/root 4465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sls_77d.sdf -rw-rw-r-- root/root 3682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sm0_aek.sdf -rw-rw-r-- root/root 3090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3smi_qdr.sdf -rw-rw-r-- root/root 2342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3smj_fdr.sdf -rw-rw-r-- root/root 6058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3smk_cw7.sdf -rw-rw-r-- root/root 4180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sml_fw1.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3smm_fja.sdf -rw-rw-r-- root/root 5653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3smn_fc7.sdf -rw-rw-r-- root/root 3222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3smq_tdu.sdf -rw-rw-r-- root/root 3743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3smr_np7.sdf -rw-rw-r-- root/root 3274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sms_rnh.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sn5_k2b.sdf -rw-rw-r-- root/root 3619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sn7_540.sdf -rw-rw-r-- root/root 3423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sni_546.sdf -rw-rw-r-- root/root 5152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sor_o58.sdf -rw-rw-r-- root/root 5383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sos_o61.sdf -rw-rw-r-- root/root 3393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sp3_suc.sdf -rw-rw-r-- root/root 3691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sp5_cx7.sdf -rw-rw-r-- root/root 8106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sp7_03b.sdf -rw-rw-r-- root/root 3904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sp9_il2.sdf -rw-rw-r-- root/root 5057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3spf_b50.sdf -rw-rw-r-- root/root 8161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3spw_t7m.sdf -rw-rw-r-- root/root 2549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sqp_3j8.sdf -rw-rw-r-- root/root 3744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sqq_99z.sdf -rw-rw-r-- root/root 2989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sqy_q11.sdf -rw-rw-r-- root/root 4012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sr4_tt8.sdf -rw-rw-r-- root/root 3345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sr5_q12.sdf -rw-rw-r-- root/root 3676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sr6_mte.sdf -rw-rw-r-- root/root 1469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sr6_rmo.sdf -rw-rw-r-- root/root 2430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3srb_28s.sdf -rw-rw-r-- root/root 2469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3src_28n.sdf -rw-rw-r-- root/root 3245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3srq_q19.sdf -rw-rw-r-- root/root 3474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3srr_q20.sdf -rw-rw-r-- root/root 3366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3srs_m23.sdf -rw-rw-r-- root/root 4403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sru_q26.sdf -rw-rw-r-- root/root 3687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3srv_s19.sdf -rw-rw-r-- root/root 3702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3srw_q27.sdf -rw-rw-r-- root/root 3448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ssj_fnu.sdf -rw-rw-r-- root/root 6485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ssn_mvi.sdf -rw-rw-r-- root/root 2541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3st6_rve.sdf -rw-rw-r-- root/root 3912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3std_mq0.sdf -rw-rw-r-- root/root 5993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3str_3li.sdf -rw-rw-r-- root/root 6186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3su9_epz.sdf -rw-rw-r-- root/root 4571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sv3_5si.sdf -rw-rw-r-- root/root 2884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3svh_krg.sdf -rw-rw-r-- root/root 5480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3svj_4li.sdf -rw-rw-r-- root/root 4324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3svp_jk5.sdf -rw-rw-r-- root/root 4298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3svq_jk4.sdf -rw-rw-r-- root/root 3782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sw7_19k.sdf -rw-rw-r-- root/root 2676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sw8_5li.sdf -rw-rw-r-- root/root 6172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3swi_upn.sdf -rw-rw-r-- root/root 3673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sww_kxb.sdf -rw-rw-r-- root/root 4210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3swz_tok.sdf -rw-rw-r-- root/root 4060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sx0_sx0.sdf -rw-rw-r-- root/root 4126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3sx4_kxa.sdf -rw-rw-r-- root/root 3293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3szc_dcq.sdf -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t03_3t0.sdf -rw-rw-r-- root/root 3889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t07_09c.sdf -rw-rw-r-- root/root 3614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t0l_1ct.sdf -rw-rw-r-- root/root 3597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t0m_2ct.sdf -rw-rw-r-- root/root 3426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t0t_i30.sdf -rw-rw-r-- root/root 4510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t11_3t1.sdf -rw-rw-r-- root/root 4382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t19_5ma.sdf -rw-rw-r-- root/root 3401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t1d_td1.sdf -rw-rw-r-- root/root 3668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t1l_mqt.sdf -rw-rw-r-- root/root 4419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t1m_dqt.sdf -rw-rw-r-- root/root 2994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t2d_p6f.sdf -rw-rw-r-- root/root 2719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t2v_kkj.sdf -rw-rw-r-- root/root 2147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t39_skm.sdf -rw-rw-r-- root/root 3911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t3m_rc2.sdf -rw-rw-r-- root/root 2512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t3s_9pl.sdf -rw-rw-r-- root/root 2314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t3y_md6.sdf -rw-rw-r-- root/root 2287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t40_3rg.sdf -rw-rw-r-- root/root 3832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t42_3t4.sdf -rw-rw-r-- root/root 2911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t44_igp.sdf -rw-rw-r-- root/root 3284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t4h_md5.sdf -rw-rw-r-- root/root 2455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t4j_zip.sdf -rw-rw-r-- root/root 2666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t4k_emu.sdf -rw-rw-r-- root/root 2589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t4l_zea.sdf -rw-rw-r-- root/root 2569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t4o_wa2.sdf -rw-rw-r-- root/root 2432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t4t_wa1.sdf -rw-rw-r-- root/root 3389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t4v_md3.sdf -rw-rw-r-- root/root 2617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t55_4rg.sdf -rw-rw-r-- root/root 2351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t5i_far.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t67_caq.sdf -rw-rw-r-- root/root 5185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t6i_nc8.sdf -rw-rw-r-- root/root 4161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t6i_nc9.sdf -rw-rw-r-- root/root 1700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t6i_z82.sdf -rw-rw-r-- root/root 3639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t7m_udp.sdf -rw-rw-r-- root/root 2492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t7p_7sp.sdf -rw-rw-r-- root/root 3879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t7q_rb4.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t83_sg5.sdf -rw-rw-r-- root/root 5184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t8m_3t8.sdf -rw-rw-r-- root/root 5715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t8v_btj.sdf -rw-rw-r-- root/root 9176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t8x_t8x.sdf -rw-rw-r-- root/root 4982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t8x_uli.sdf -rw-rw-r-- root/root 4758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t9c_ihp.sdf -rw-rw-r-- root/root 5363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t9e_i7p.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3t9i_3t9.sdf -rw-rw-r-- root/root 2640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3taj_nbo.sdf -rw-rw-r-- root/root 4032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tam_m06.sdf -rw-rw-r-- root/root 3650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tbg_rtz.sdf -rw-rw-r-- root/root 4670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tc5_3t5.sdf -rw-rw-r-- root/root 4114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tcp_ckj.sdf -rw-rw-r-- root/root 3042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tct_3mi.sdf -rw-rw-r-- root/root 4277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tcz_r2z.sdf -rw-rw-r-- root/root 4307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3td8_d2r.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tda_pn0.sdf -rw-rw-r-- root/root 5369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tdb_3tb.sdf -rw-rw-r-- root/root 4991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tdc_0eu.sdf -rw-rw-r-- root/root 2162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tdt_26p.sdf -rw-rw-r-- root/root 3553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3te7_te7.sdf -rw-rw-r-- root/root 2327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3teh_dah.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tem_6a1.sdf -rw-rw-r-- root/root 4416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tfj_thg.sdf -rw-rw-r-- root/root 4290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tfn_2cj.sdf -rw-rw-r-- root/root 4070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tfp_03l.sdf -rw-rw-r-- root/root 3449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tfq_07m.sdf -rw-rw-r-- root/root 4536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tfr_f3a.sdf -rw-rw-r-- root/root 4437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tfs_fha.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tfu_pl8.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tfv_2cn.sdf -rw-rw-r-- root/root 4367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tg6_0mm.sdf -rw-rw-r-- root/root 4648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tge_tge.sdf -rw-rw-r-- root/root 4417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tgg_0h3.sdf -rw-rw-r-- root/root 3203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tgm_3tg.sdf -rw-rw-r-- root/root 3609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3th8_th9.sdf -rw-rw-r-- root/root 4794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3th9_9y9.sdf -rw-rw-r-- root/root 4398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3thb_3ta.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tib_lvo.sdf -rw-rw-r-- root/root 4497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tj2_tj2.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tjc_0tp.sdf -rw-rw-r-- root/root 3952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tjd_6tp.sdf -rw-rw-r-- root/root 4194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tjp_13k.sdf -rw-rw-r-- root/root 5598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tjs_d0r.sdf -rw-rw-r-- root/root 5009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tk5_d1q.sdf -rw-rw-r-- root/root 4200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tk6_d46.sdf -rw-rw-r-- root/root 4583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tkh_07s.sdf -rw-rw-r-- root/root 4226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tki_s25.sdf -rw-rw-r-- root/root 4358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tkm_gw0.sdf -rw-rw-r-- root/root 2902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tl1_jro.sdf -rw-rw-r-- root/root 4882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tl5_980.sdf -rw-rw-r-- root/root 4343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tlb_dsz.sdf -rw-rw-r-- root/root 4847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tlc_7md.sdf -rw-rw-r-- root/root 2964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tll_62d.sdf -rw-rw-r-- root/root 5408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tm0_b31.sdf -rw-rw-r-- root/root 4009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tmz_06x.sdf -rw-rw-r-- root/root 2567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tn8_f18.sdf -rw-rw-r-- root/root 2065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tod_xxb.sdf -rw-rw-r-- root/root 3177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tp0_fo5.sdf -rw-rw-r-- root/root 2657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tru_isj.sdf -rw-rw-r-- root/root 5390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tsk_qeg.sdf -rw-rw-r-- root/root 5138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tt0_07j.sdf -rw-rw-r-- root/root 3746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tt4_e1s.sdf -rw-rw-r-- root/root 4492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tti_kbi.sdf -rw-rw-r-- root/root 4313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ttj_jbi.sdf -rw-rw-r-- root/root 2638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ttr_lqz.sdf -rw-rw-r-- root/root 3872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ttz_07n.sdf -rw-rw-r-- root/root 4603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tu1_07g.sdf -rw-rw-r-- root/root 3141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tu9_5mm.sdf -rw-rw-r-- root/root 4672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tub_fpu.sdf -rw-rw-r-- root/root 5105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tuc_fpw.sdf -rw-rw-r-- root/root 5257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tud_fpx.sdf -rw-rw-r-- root/root 3876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tuh_tuh.sdf -rw-rw-r-- root/root 1704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tuw_pza.sdf -rw-rw-r-- root/root 3733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tv4_tv4.sdf -rw-rw-r-- root/root 4906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tv5_rcp.sdf -rw-rw-r-- root/root 4097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tv6_b0r.sdf -rw-rw-r-- root/root 3619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tv7_07q.sdf -rw-rw-r-- root/root 2040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tv8_dgj.sdf -rw-rw-r-- root/root 4388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tvc_e3p.sdf -rw-rw-r-- root/root 3305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tvq_dqh.sdf -rw-rw-r-- root/root 4201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tvw_07h.sdf -rw-rw-r-- root/root 4733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3twd_gob.sdf -rw-rw-r-- root/root 3381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3twj_07r.sdf -rw-rw-r-- root/root 1622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tx9_3rn.sdf -rw-rw-r-- root/root 3260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3txo_07u.sdf -rw-rw-r-- root/root 4975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ty0_082.sdf -rw-rw-r-- root/root 2154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ty3_ggg.sdf -rw-rw-r-- root/root 3802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tyl_axw.sdf -rw-rw-r-- root/root 3912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tym_08r.sdf -rw-rw-r-- root/root 3810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tyn_cxw.sdf -rw-rw-r-- root/root 3583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tyo_dxw.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tyq_hi4.sdf -rw-rw-r-- root/root 4969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tyv_hi3.sdf -rw-rw-r-- root/root 4706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tz3_b36.sdf -rw-rw-r-- root/root 1767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tz4_03h.sdf -rw-rw-r-- root/root 6075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tz7_aqb.sdf -rw-rw-r-- root/root 6426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tz8_aqm.sdf -rw-rw-r-- root/root 4977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tz9_aqu.sdf -rw-rw-r-- root/root 2413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tzb_aa.sdf -rw-rw-r-- root/root 4092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tzm_085.sdf -rw-rw-r-- root/root 1805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tzs_phu.sdf -rw-rw-r-- root/root 1310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tzv_hex.sdf -rw-rw-r-- root/root 4711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3tzv_lsc.sdf -rw-rw-r-- root/root 3293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u03_488.sdf -rw-rw-r-- root/root 1862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u0p_und.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u0x_gti.sdf -rw-rw-r-- root/root 7687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u18_y0x.sdf -rw-rw-r-- root/root 4649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u1y_03i.sdf -rw-rw-r-- root/root 3671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u2d_08b.sdf -rw-rw-r-- root/root 3916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u2k_087.sdf -rw-rw-r-- root/root 3821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u2o_03u.sdf -rw-rw-r-- root/root 1971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u2x_aso.sdf -rw-rw-r-- root/root 3608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u2z_07t.sdf -rw-rw-r-- root/root 1481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u3h_03w.sdf -rw-rw-r-- root/root 1927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u3k_03v.sdf -rw-rw-r-- root/root 4849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u4h_c8r.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u4i_cvr.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u4o_08e.sdf -rw-rw-r-- root/root 5649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u4r_08f.sdf -rw-rw-r-- root/root 2113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u4s_08p.sdf -rw-rw-r-- root/root 4605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u4u_lnh.sdf -rw-rw-r-- root/root 5099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u57_dh8.sdf -rw-rw-r-- root/root 3402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u5l_08k.sdf -rw-rw-r-- root/root 3813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u6a_18p.sdf -rw-rw-r-- root/root 5231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u6h_03x.sdf -rw-rw-r-- root/root 5419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u6i_044.sdf -rw-rw-r-- root/root 4368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u7k_mdb.sdf -rw-rw-r-- root/root 4380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u7l_udb.sdf -rw-rw-r-- root/root 3866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u7m_fhf.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u7n_uhf.sdf -rw-rw-r-- root/root 4207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u8d_u8d.sdf -rw-rw-r-- root/root 3165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u8f_fgm.sdf -rw-rw-r-- root/root 2171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u8j_09o.sdf -rw-rw-r-- root/root 2867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u8l_09q.sdf -rw-rw-r-- root/root 2305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u8m_09r.sdf -rw-rw-r-- root/root 2649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u8n_09s.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u8q_npu.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u8w_09j.sdf -rw-rw-r-- root/root 2529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u9c_04g.sdf -rw-rw-r-- root/root 3022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u9f_clm.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3u9n_09h.sdf -rw-rw-r-- root/root 5617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ua1_08y.sdf -rw-rw-r-- root/root 4268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ua8_08w.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ua9_iwr.sdf -rw-rw-r-- root/root 6545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uag_uma.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uan_a3p.sdf -rw-rw-r-- root/root 5588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ud5_j1a.sdf -rw-rw-r-- root/root 4106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3udd_34m.sdf -rw-rw-r-- root/root 5844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ude_j1b.sdf -rw-rw-r-- root/root 5754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3udl_kli.sdf -rw-rw-r-- root/root 3796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3udn_09b.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3udp_09d.sdf -rw-rw-r-- root/root 4375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3udq_09e.sdf -rw-rw-r-- root/root 5972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3udv_j1c.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3udy_09g.sdf -rw-rw-r-- root/root 4020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ue8_09m.sdf -rw-rw-r-- root/root 3405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ueq_otu.sdf -rw-rw-r-- root/root 2802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uf9_fst.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ufl_508.sdf -rw-rw-r-- root/root 3902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ufo_hw4.sdf -rw-rw-r-- root/root 3925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ufq_hw5.sdf -rw-rw-r-- root/root 3821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ufr_h5w.sdf -rw-rw-r-- root/root 4042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ufs_hw6.sdf -rw-rw-r-- root/root 4041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uft_hw7.sdf -rw-rw-r-- root/root 3920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ufw_hw0.sdf -rw-rw-r-- root/root 5536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ugc_046.sdf -rw-rw-r-- root/root 4228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uh0_tsb.sdf -rw-rw-r-- root/root 3186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uh4_xav.sdf -rw-rw-r-- root/root 3634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uhm_rfn.sdf -rw-rw-r-- root/root 3519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ui7_c1l.sdf -rw-rw-r-- root/root 2000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uiv_308.sdf -rw-rw-r-- root/root 3231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uix_q17.sdf -rw-rw-r-- root/root 1839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ujs_0v5.sdf -rw-rw-r-- root/root 2006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ujs_xsp.sdf -rw-rw-r-- root/root 1588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uk4_xxd.sdf -rw-rw-r-- root/root 4294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uli_1n3.sdf -rw-rw-r-- root/root 2680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3um5_cp6.sdf -rw-rw-r-- root/root 2709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3um6_1cy.sdf -rw-rw-r-- root/root 4133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3umw_596.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3umx_q18.sdf -rw-rw-r-- root/root 3480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3unz_0bz.sdf -rw-rw-r-- root/root 4032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uo4_0c0.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uo5_0bx.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uo6_0by.sdf -rw-rw-r-- root/root 3830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uod_0c3.sdf -rw-rw-r-- root/root 3482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uoh_0c4.sdf -rw-rw-r-- root/root 3581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uoj_0c5.sdf -rw-rw-r-- root/root 3619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uok_0c6.sdf -rw-rw-r-- root/root 3757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uol_0c7.sdf -rw-rw-r-- root/root 3616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uon_qnb.sdf -rw-rw-r-- root/root 3941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3up2_0c8.sdf -rw-rw-r-- root/root 3703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3up7_0c9.sdf -rw-rw-r-- root/root 5295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3upe_0ca.sdf -rw-rw-r-- root/root 4855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uph_0c1.sdf -rw-rw-r-- root/root 5005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3upi_0c2.sdf -rw-rw-r-- root/root 3345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3upj_u03.sdf -rw-rw-r-- root/root 4396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3upq_zan.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3upr_1kx.sdf -rw-rw-r-- root/root 3746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uqf_bk5.sdf -rw-rw-r-- root/root 2695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uqg_b5a.sdf -rw-rw-r-- root/root 3939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ur4_0bw.sdf -rw-rw-r-- root/root 1683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ur5_dpf.sdf -rw-rw-r-- root/root 2060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3urk_0cg.sdf -rw-rw-r-- root/root 1954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3urq_qmp.sdf -rw-rw-r-- root/root 2189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3usd_idl.sdf -rw-rw-r-- root/root 1713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3usf_hoz.sdf -rw-rw-r-- root/root 2486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3usf_plr.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ut3_emj.sdf -rw-rw-r-- root/root 2321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3utc_0jx.sdf -rw-rw-r-- root/root 2397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3utd_0cj.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uu1_14b.sdf -rw-rw-r-- root/root 3394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uuo_0cv.sdf -rw-rw-r-- root/root 5160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uuz_0cb.sdf -rw-rw-r-- root/root 2156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uv3_0cm.sdf -rw-rw-r-- root/root 2284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uv6_0ch.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uv7_0cn.sdf -rw-rw-r-- root/root 3779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uvc_0d2.sdf -rw-rw-r-- root/root 4114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uvp_048.sdf -rw-rw-r-- root/root 2489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uwe_vjj.sdf -rw-rw-r-- root/root 2683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uwk_0df.sdf -rw-rw-r-- root/root 3799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uwl_foz.sdf -rw-rw-r-- root/root 2288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uwm_0k2.sdf -rw-rw-r-- root/root 3054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uwo_0dj.sdf -rw-rw-r-- root/root 4754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ux0_0dv.sdf -rw-rw-r-- root/root 1984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uxd_0cu.sdf -rw-rw-r-- root/root 3136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uxe_465.sdf -rw-rw-r-- root/root 3012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uxh_uxh.sdf -rw-rw-r-- root/root 1837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uxl_cfi.sdf -rw-rw-r-- root/root 2713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uxm_0dn.sdf -rw-rw-r-- root/root 3603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uyt_0ck.sdf -rw-rw-r-- root/root 3127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uza_t4g.sdf -rw-rw-r-- root/root 3134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uzc_t4e.sdf -rw-rw-r-- root/root 3277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uzx_aom.sdf -rw-rw-r-- root/root 3281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uzx_aox.sdf -rw-rw-r-- root/root 3212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uzz_asd.sdf -rw-rw-r-- root/root 3224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3uzz_tes.sdf -rw-rw-r-- root/root 3891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v01_3v0.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v04_v04.sdf -rw-rw-r-- root/root 5703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v0l_2gw.sdf -rw-rw-r-- root/root 4374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v0m_5gw.sdf -rw-rw-r-- root/root 4522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v0n_4gw.sdf -rw-rw-r-- root/root 4082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v0q_bhe.sdf -rw-rw-r-- root/root 1868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v0r_0fu.sdf -rw-rw-r-- root/root 2531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v1m_hpk.sdf -rw-rw-r-- root/root 2236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v1r_jth.sdf -rw-rw-r-- root/root 2063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v1s_0lh.sdf -rw-rw-r-- root/root 2916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v1v_gst.sdf -rw-rw-r-- root/root 3037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v1x_0fv.sdf -rw-rw-r-- root/root 3374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v2y_ml5.sdf -rw-rw-r-- root/root 3126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v35_nti.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v3m_0en.sdf -rw-rw-r-- root/root 3702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v3q_tmy.sdf -rw-rw-r-- root/root 3473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v3v_myu.sdf -rw-rw-r-- root/root 2184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v3x_mtn.sdf -rw-rw-r-- root/root 4009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v49_pk0.sdf -rw-rw-r-- root/root 3551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v4a_pk1.sdf -rw-rw-r-- root/root 1395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v5a_abu.sdf -rw-rw-r-- root/root 4465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v5j_0f2.sdf -rw-rw-r-- root/root 4337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v5l_0g1.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v5q_0f4.sdf -rw-rw-r-- root/root 3395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v5u_olc.sdf -rw-rw-r-- root/root 3553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v5w_8pr.sdf -rw-rw-r-- root/root 5346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v66_d3a.sdf -rw-rw-r-- root/root 4332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v7t_0gx.sdf -rw-rw-r-- root/root 3222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v7w_zas.sdf -rw-rw-r-- root/root 3569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v7x_d7a.sdf -rw-rw-r-- root/root 3294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v7y_a3n.sdf -rw-rw-r-- root/root 3279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v80_aoc.sdf -rw-rw-r-- root/root 4197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v8d_0gv.sdf -rw-rw-r-- root/root 4516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v8n_5ci.sdf -rw-rw-r-- root/root 6295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v8p_znb.sdf -rw-rw-r-- root/root 2951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v8q_5n5.sdf -rw-rw-r-- root/root 3088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v8r_5nb.sdf -rw-rw-r-- root/root 3124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v8s_0hd.sdf -rw-rw-r-- root/root 4097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v8w_0g2.sdf -rw-rw-r-- root/root 5363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v9b_ihm.sdf -rw-rw-r-- root/root 5301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3v9t_17l.sdf -rw-rw-r-- root/root 2331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vad_0f1.sdf -rw-rw-r-- root/root 5601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vap_0fy.sdf -rw-rw-r-- root/root 4039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vbg_03m.sdf -rw-rw-r-- root/root 4043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vbq_0f5.sdf -rw-rw-r-- root/root 2533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vby_0fr.sdf -rw-rw-r-- root/root 2827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vc4_0fs.sdf -rw-rw-r-- root/root 2689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3veh_0ga.sdf -rw-rw-r-- root/root 4015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vev_0h4.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vey_0h5.sdf -rw-rw-r-- root/root 4442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vf3_0gs.sdf -rw-rw-r-- root/root 4023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vf6_0h6.sdf -rw-rw-r-- root/root 3755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vf8_0je.sdf -rw-rw-r-- root/root 3787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vf9_477.sdf -rw-rw-r-- root/root 5120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vfe_0hl.sdf -rw-rw-r-- root/root 2927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vgc_srb.sdf -rw-rw-r-- root/root 1947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vgn_fnn.sdf -rw-rw-r-- root/root 3017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vgw_nvz.sdf -rw-rw-r-- root/root 3835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vha_vha.sdf -rw-rw-r-- root/root 4064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vhc_vhc.sdf -rw-rw-r-- root/root 3809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vhd_vhe.sdf -rw-rw-r-- root/root 4443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vhe_42q.sdf -rw-rw-r-- root/root 2904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vhh_vhh.sdf -rw-rw-r-- root/root 3837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vhi_vhi.sdf -rw-rw-r-- root/root 3245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vhk_bpk.sdf -rw-rw-r-- root/root 4727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vhm_npk.sdf -rw-rw-r-- root/root 3804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vhv_ld1.sdf -rw-rw-r-- root/root 5807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vhw_vhw.sdf -rw-rw-r-- root/root 4492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vi5_m4m.sdf -rw-rw-r-- root/root 6544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vi7_cbd.sdf -rw-rw-r-- root/root 4754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vi8_13m.sdf -rw-rw-r-- root/root 2689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vid_4tt.sdf -rw-rw-r-- root/root 6605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vje_zga.sdf -rw-rw-r-- root/root 4185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vjh_j35.sdf -rw-rw-r-- root/root 5157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vji_j53.sdf -rw-rw-r-- root/root 4310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vjk_m51.sdf -rw-rw-r-- root/root 4652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vjl_w94.sdf -rw-rw-r-- root/root 4518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vjm_w61.sdf -rw-rw-r-- root/root 4655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vjs_10s.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vjt_10r.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vlj_ddj.sdf -rw-rw-r-- root/root 2816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vm6_ri2.sdf -rw-rw-r-- root/root 5243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vn2_tls.sdf -rw-rw-r-- root/root 4450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vn9_ank.sdf -rw-rw-r-- root/root 3745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vng_fuu.sdf -rw-rw-r-- root/root 2040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vnj_psj.sdf -rw-rw-r-- root/root 2047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vnm_sdd.sdf -rw-rw-r-- root/root 4504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vo3_0kf.sdf -rw-rw-r-- root/root 4785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vp1_04a.sdf -rw-rw-r-- root/root 1870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vp2_bp0.sdf -rw-rw-r-- root/root 1839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vp3_bp8.sdf -rw-rw-r-- root/root 1730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vp4_bp9.sdf -rw-rw-r-- root/root 2455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vq5_mmj.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vqe_fmq.sdf -rw-rw-r-- root/root 6293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vqs_jt1.sdf -rw-rw-r-- root/root 3222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vqu_o22.sdf -rw-rw-r-- root/root 3994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vrt_ys2.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vru_ys3.sdf -rw-rw-r-- root/root 4461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vrv_ysd.sdf -rw-rw-r-- root/root 4915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vrw_ys5.sdf -rw-rw-r-- root/root 4458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vrz_vrz.sdf -rw-rw-r-- root/root 4212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vs0_vs0.sdf -rw-rw-r-- root/root 4335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vs1_vsa.sdf -rw-rw-r-- root/root 4932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vs2_vsb.sdf -rw-rw-r-- root/root 4934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vs3_vse.sdf -rw-rw-r-- root/root 4090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vs4_vsf.sdf -rw-rw-r-- root/root 4208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vs5_vsg.sdf -rw-rw-r-- root/root 4091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vs6_vsh.sdf -rw-rw-r-- root/root 1854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vsj_2xp.sdf -rw-rw-r-- root/root 5102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vso_ek1.sdf -rw-rw-r-- root/root 5115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vsp_ek8.sdf -rw-rw-r-- root/root 5317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vsw_r31.sdf -rw-rw-r-- root/root 5007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vsx_r32.sdf -rw-rw-r-- root/root 4392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vt3_vdx.sdf -rw-rw-r-- root/root 4728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vt5_yi2.sdf -rw-rw-r-- root/root 4728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vt6_5yi.sdf -rw-rw-r-- root/root 4682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vt8_yi3.sdf -rw-rw-r-- root/root 4995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vt9_yi4.sdf -rw-rw-r-- root/root 5375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vtb_tka.sdf -rw-rw-r-- root/root 5486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vtc_tk3.sdf -rw-rw-r-- root/root 5485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vtd_tkd.sdf -rw-rw-r-- root/root 2121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vu8_mds.sdf -rw-rw-r-- root/root 5422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vuc_hhe.sdf -rw-rw-r-- root/root 4452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vuz_k15.sdf -rw-rw-r-- root/root 4807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vv0_kh3.sdf -rw-rw-r-- root/root 3785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vv7_0b1.sdf -rw-rw-r-- root/root 3550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vva_chw.sdf -rw-rw-r-- root/root 3828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vw6_im6.sdf -rw-rw-r-- root/root 5148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vw7_vpx.sdf -rw-rw-r-- root/root 4619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vw8_df6.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vw9_hpj.sdf -rw-rw-r-- root/root 6890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vwj_db3.sdf -rw-rw-r-- root/root 7208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vwk_4gh.sdf -rw-rw-r-- root/root 4375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vyd_vyd.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vye_vye.sdf -rw-rw-r-- root/root 4707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vyf_vyf.sdf -rw-rw-r-- root/root 3066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vzb_sqs.sdf -rw-rw-r-- root/root 3021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vzc_uul.sdf -rw-rw-r-- root/root 5249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3vzv_vzv.sdf -rw-rw-r-- root/root 5376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w0a_ds5.sdf -rw-rw-r-- root/root 5398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w0c_6ds.sdf -rw-rw-r-- root/root 4072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w0g_w07.sdf -rw-rw-r-- root/root 4504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w0h_w12.sdf -rw-rw-r-- root/root 4291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w0i_o11.sdf -rw-rw-r-- root/root 4327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w0j_t08.sdf -rw-rw-r-- root/root 3611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w0t_hpu.sdf -rw-rw-r-- root/root 4212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w0u_hpw.sdf -rw-rw-r-- root/root 5608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w0y_ds4.sdf -rw-rw-r-- root/root 3612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w10_ro9.sdf -rw-rw-r-- root/root 4720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w18_n13.sdf -rw-rw-r-- root/root 4085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w1f_1o5.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w1l_hro.sdf -rw-rw-r-- root/root 2162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w1m_rro.sdf -rw-rw-r-- root/root 2154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w1n_iro.sdf -rw-rw-r-- root/root 2270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w1p_ero.sdf -rw-rw-r-- root/root 2718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w1q_yro.sdf -rw-rw-r-- root/root 2948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w1r_mro.sdf -rw-rw-r-- root/root 3433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w1t_wro.sdf -rw-rw-r-- root/root 3079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w1u_lro.sdf -rw-rw-r-- root/root 3305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w1x_xro.sdf -rw-rw-r-- root/root 3419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w22_2ro.sdf -rw-rw-r-- root/root 3086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w23_3ro.sdf -rw-rw-r-- root/root 4468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w2c_n15.sdf -rw-rw-r-- root/root 3207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w2j_qro.sdf -rw-rw-r-- root/root 3214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w2k_kro.sdf -rw-rw-r-- root/root 3192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w2l_vro.sdf -rw-rw-r-- root/root 3433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w2m_zro.sdf -rw-rw-r-- root/root 3431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w2n_rod.sdf -rw-rw-r-- root/root 5181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w2o_03p.sdf -rw-rw-r-- root/root 5394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w2s_w2r.sdf -rw-rw-r-- root/root 3873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w2u_rou.sdf -rw-rw-r-- root/root 5308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w32_w32.sdf -rw-rw-r-- root/root 4871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w33_w19.sdf -rw-rw-r-- root/root 2801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w3j_c09.sdf -rw-rw-r-- root/root 2680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w3k_l07.sdf -rw-rw-r-- root/root 3406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w3l_rx8.sdf -rw-rw-r-- root/root 3667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w3o_roe.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w4i_8lg.sdf -rw-rw-r-- root/root 2547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w4j_2ld.sdf -rw-rw-r-- root/root 2557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w4k_3ld.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w54_rnb.sdf -rw-rw-r-- root/root 3854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w55_1fm.sdf -rw-rw-r-- root/root 4599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w5e_nvw.sdf -rw-rw-r-- root/root 3985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w5q_3kl.sdf -rw-rw-r-- root/root 4331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w5r_loa.sdf -rw-rw-r-- root/root 4446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w5t_lhp.sdf -rw-rw-r-- root/root 4239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w68_viv.sdf -rw-rw-r-- root/root 6349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w69_ltz.sdf -rw-rw-r-- root/root 3782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w6y_w6y.sdf -rw-rw-r-- root/root 3748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w70_w70.sdf -rw-rw-r-- root/root 3417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w72_w7b.sdf -rw-rw-r-- root/root 3880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w73_w73.sdf -rw-rw-r-- root/root 3536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w74_w74.sdf -rw-rw-r-- root/root 3406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w75_w75.sdf -rw-rw-r-- root/root 3182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w76_w76.sdf -rw-rw-r-- root/root 3665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7c_w7c.sdf -rw-rw-r-- root/root 3656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7d_w7d.sdf -rw-rw-r-- root/root 3665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7e_w7f.sdf -rw-rw-r-- root/root 3186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7g_w7g.sdf -rw-rw-r-- root/root 3428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7h_w7h.sdf -rw-rw-r-- root/root 3663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7i_w7i.sdf -rw-rw-r-- root/root 3774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7j_w7j.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7k_w7k.sdf -rw-rw-r-- root/root 3667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7l_w7l.sdf -rw-rw-r-- root/root 3902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7m_w7m.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7n_w7n.sdf -rw-rw-r-- root/root 3307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7o_w7o.sdf -rw-rw-r-- root/root 3307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7p_w7p.sdf -rw-rw-r-- root/root 4165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7q_w7q.sdf -rw-rw-r-- root/root 3639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w7r_w7a.sdf -rw-rw-r-- root/root 3903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w83_w83.sdf -rw-rw-r-- root/root 3899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w84_w8z.sdf -rw-rw-r-- root/root 3425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w85_w85.sdf -rw-rw-r-- root/root 3638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w86_w86.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w87_w87.sdf -rw-rw-r-- root/root 3992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w88_w88.sdf -rw-rw-r-- root/root 3472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w9b_pe8.sdf -rw-rw-r-- root/root 6629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3w9h_p9d.sdf -rw-rw-r-- root/root 2078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wab_ddw.sdf -rw-rw-r-- root/root 3324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wav_dwv.sdf -rw-rw-r-- root/root 3561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3waw_dww.sdf -rw-rw-r-- root/root 4411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wax_dwx.sdf -rw-rw-r-- root/root 4412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3way_dwy.sdf -rw-rw-r-- root/root 4676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wb2_ygp.sdf -rw-rw-r-- root/root 2092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wc5_ddk.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wc7_ef1.sdf -rw-rw-r-- root/root 3623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wcf_bh8.sdf -rw-rw-r-- root/root 3753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wch_8ph.sdf -rw-rw-r-- root/root 4305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wci_bh5.sdf -rw-rw-r-- root/root 4545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wcj_e5s.sdf -rw-rw-r-- root/root 4177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wcl_bh3.sdf -rw-rw-r-- root/root 4229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wcm_er4.sdf -rw-rw-r-- root/root 6799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wd1_st7.sdf -rw-rw-r-- root/root 4989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wd4_a1l.sdf -rw-rw-r-- root/root 2540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wd4_qub.sdf -rw-rw-r-- root/root 4318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wd9_qpc.sdf -rw-rw-r-- root/root 3509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3weg_fps.sdf -rw-rw-r-- root/root 3033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wez_n8v.sdf -rw-rw-r-- root/root 2783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wf0_6dj.sdf -rw-rw-r-- root/root 2912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wf1_6gj.sdf -rw-rw-r-- root/root 2858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wf2_ndj.sdf -rw-rw-r-- root/root 3556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wf5_fz8.sdf -rw-rw-r-- root/root 3564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wf6_fz9.sdf -rw-rw-r-- root/root 3977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wf7_fs9.sdf -rw-rw-r-- root/root 4484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wf8_f76.sdf -rw-rw-r-- root/root 4632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wf9_fs7.sdf -rw-rw-r-- root/root 2997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wfa_edt.sdf -rw-rw-r-- root/root 3651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wff_wff.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wfg_wfg.sdf -rw-rw-r-- root/root 3800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wg8_6as.sdf -rw-rw-r-- root/root 4913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wgp_ed9.sdf -rw-rw-r-- root/root 1716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wgt_qsc.sdf -rw-rw-r-- root/root 3138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wgw_t2b.sdf -rw-rw-r-- root/root 2692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wh0_o4b.sdf -rw-rw-r-- root/root 3931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wha_wha.sdf -rw-rw-r-- root/root 5225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3whw_rux.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wi2_p98.sdf -rw-rw-r-- root/root 2926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wi6_yrz.sdf -rw-rw-r-- root/root 4582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wig_chu.sdf -rw-rw-r-- root/root 2812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wik_lct.sdf -rw-rw-r-- root/root 3753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wil_lcd.sdf -rw-rw-r-- root/root 1636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wio_h3m.sdf -rw-rw-r-- root/root 4777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wix_lc3.sdf -rw-rw-r-- root/root 8127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wiy_lc6.sdf -rw-rw-r-- root/root 3333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wjw_u6m.sdf -rw-rw-r-- root/root 3672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wk0_o7m.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wk3_o7e.sdf -rw-rw-r-- root/root 2448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wk4_s0a.sdf -rw-rw-r-- root/root 2331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wk5_s0c.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wk6_s0b.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wk7_s0d.sdf -rw-rw-r-- root/root 2320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wk8_s0e.sdf -rw-rw-r-- root/root 2320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wk9_s0f.sdf -rw-rw-r-- root/root 2575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wka_s0g.sdf -rw-rw-r-- root/root 2774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wkb_s0i.sdf -rw-rw-r-- root/root 2990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wkc_s0j.sdf -rw-rw-r-- root/root 3018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wkd_s0k.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wke_aub.sdf -rw-rw-r-- root/root 4302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wlu_lse.sdf -rw-rw-r-- root/root 5062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wmh_jja.sdf -rw-rw-r-- root/root 2771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wn4_d87.sdf -rw-rw-r-- root/root 4068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wqh_skk.sdf -rw-rw-r-- root/root 2949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wqq_ib3.sdf -rw-rw-r-- root/root 3059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wqr_lsx.sdf -rw-rw-r-- root/root 3068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wqs_kbk.sdf -rw-rw-r-- root/root 3978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ws8_x4c.sdf -rw-rw-r-- root/root 3848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ws9_x4d.sdf -rw-rw-r-- root/root 6061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wsj_mk1.sdf -rw-rw-r-- root/root 5499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wsp_w09.sdf -rw-rw-r-- root/root 4812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wt5_ya1.sdf -rw-rw-r-- root/root 4913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wt7_ya2.sdf -rw-rw-r-- root/root 2752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wth_im4.sdf -rw-rw-r-- root/root 2605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wtk_th4.sdf -rw-rw-r-- root/root 2745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wtm_n1y.sdf -rw-rw-r-- root/root 2350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wto_n2y.sdf -rw-rw-r-- root/root 4814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wtq_ys9.sdf -rw-rw-r-- root/root 4911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wv1_whh.sdf -rw-rw-r-- root/root 3379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wv2_wgg.sdf -rw-rw-r-- root/root 3302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wv3_wll.sdf -rw-rw-r-- root/root 5115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wvc_feg.sdf -rw-rw-r-- root/root 5159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wvc_zgp.sdf -rw-rw-r-- root/root 5227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wwr_3aj.sdf -rw-rw-r-- root/root 2929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wxc_c93.sdf -rw-rw-r-- root/root 2329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wyc_nes.sdf -rw-rw-r-- root/root 7682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wyj_h78.sdf -rw-rw-r-- root/root 3938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wyk_3kg.sdf -rw-rw-r-- root/root 4177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wyl_3kb.sdf -rw-rw-r-- root/root 4428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wym_3k9.sdf -rw-rw-r-- root/root 5441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wyy_o17.sdf -rw-rw-r-- root/root 4497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wz6_ixz.sdf -rw-rw-r-- root/root 4834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wz7_ixy.sdf -rw-rw-r-- root/root 4493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wz8_ixv.sdf -rw-rw-r-- root/root 4222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wzd_lev.sdf -rw-rw-r-- root/root 4961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wzj_o43.sdf -rw-rw-r-- root/root 3996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wzk_o23.sdf -rw-rw-r-- root/root 3732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wzo_zoe.sdf -rw-rw-r-- root/root 3599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3wzq_zof.sdf -rw-rw-r-- root/root 4209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3x31_41v.sdf -rw-rw-r-- root/root 4267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3x36_41w.sdf -rw-rw-r-- root/root 3788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3x44_pus.sdf -rw-rw-r-- root/root 3865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zbx_6xe.sdf -rw-rw-r-- root/root 3887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zc5_w9z.sdf -rw-rw-r-- root/root 4693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zc6_vfc.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zcl_5tf.sdf -rw-rw-r-- root/root 4904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zcm_px3.sdf -rw-rw-r-- root/root 3798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zcv_n85.sdf -rw-rw-r-- root/root 4597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zcw_4a2.sdf -rw-rw-r-- root/root 2175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zdg_xrx.sdf -rw-rw-r-- root/root 2337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zdh_xrs.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zdi_ugj.sdf -rw-rw-r-- root/root 3881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zdu_38r.sdf -rw-rw-r-- root/root 4495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zdw_ebs.sdf -rw-rw-r-- root/root 4455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zep_1nx.sdf -rw-rw-r-- root/root 4456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zg2_udo.sdf -rw-rw-r-- root/root 4550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zg3_udd.sdf -rw-rw-r-- root/root 6193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zgg_iug.sdf -rw-rw-r-- root/root 4442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zgz_84t.sdf -rw-rw-r-- root/root 4285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zh8_c58.sdf -rw-rw-r-- root/root 4711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zhs_td6.sdf -rw-rw-r-- root/root 4797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zht_td9.sdf -rw-rw-r-- root/root 4798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zhu_td8.sdf -rw-rw-r-- root/root 4222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zhv_tdw.sdf -rw-rw-r-- root/root 3707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zhx_fm6.sdf -rw-rw-r-- root/root 4942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zhz_fm7.sdf -rw-rw-r-- root/root 4368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zi0_fm8.sdf -rw-rw-r-- root/root 1274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zi4_sfl.sdf -rw-rw-r-- root/root 2877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zj6_vm2.sdf -rw-rw-r-- root/root 2763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zj7_c1k.sdf -rw-rw-r-- root/root 3018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zj8_lr1.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zk5_z18.sdf -rw-rw-r-- root/root 5490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zk6_h1i.sdf -rw-rw-r-- root/root 4407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zkn_wzv.sdf -rw-rw-r-- root/root 6609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zkp_erb.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zku_hcv.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zky_wt4.sdf -rw-rw-r-- root/root 3129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zl2_bwg.sdf -rw-rw-r-- root/root 4289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zln_h0y.sdf -rw-rw-r-- root/root 5344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zlo_x8u.sdf -rw-rw-r-- root/root 4173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zlq_6t9.sdf -rw-rw-r-- root/root 5584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zlr_x0b.sdf -rw-rw-r-- root/root 2214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zls_92p.sdf -rw-rw-r-- root/root 1473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zlu_1ka.sdf -rw-rw-r-- root/root 2565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zlw_mt8.sdf -rw-rw-r-- root/root 2965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zlx_5ez.sdf -rw-rw-r-- root/root 2088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zly_yso.sdf -rw-rw-r-- root/root 2850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zm4_22t.sdf -rw-rw-r-- root/root 5012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zm9_qmq.sdf -rw-rw-r-- root/root 3272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zme_qc5.sdf -rw-rw-r-- root/root 6915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zn0_fad.sdf -rw-rw-r-- root/root 3466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3znc_bz1.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zno_se5.sdf -rw-rw-r-- root/root 2046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3znp_se2.sdf -rw-rw-r-- root/root 2920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3znq_ss8.sdf -rw-rw-r-- root/root 4942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3znr_nu9.sdf -rw-rw-r-- root/root 5065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zns_nu7.sdf -rw-rw-r-- root/root 3022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zo1_sij.sdf -rw-rw-r-- root/root 3022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zo2_15i.sdf -rw-rw-r-- root/root 3022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zo3_qni.sdf -rw-rw-r-- root/root 3750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zo4_qwi.sdf -rw-rw-r-- root/root 3700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zoi_m2w.sdf -rw-rw-r-- root/root 2632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zp4_tsa.sdf -rw-rw-r-- root/root 2417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zpq_xf5.sdf -rw-rw-r-- root/root 2649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zpr_3wc.sdf -rw-rw-r-- root/root 3765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zr7_or8.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zra_orb.sdf -rw-rw-r-- root/root 3760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zrb_orc.sdf -rw-rw-r-- root/root 2556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zrk_zrk.sdf -rw-rw-r-- root/root 2698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zrl_zrl.sdf -rw-rw-r-- root/root 3391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zrm_zrm.sdf -rw-rw-r-- root/root 5160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zs4_1pr.sdf -rw-rw-r-- root/root 4062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zsg_t75.sdf -rw-rw-r-- root/root 6471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zsn_miv.sdf -rw-rw-r-- root/root 5801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zso_o2n.sdf -rw-rw-r-- root/root 5272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zsq_o4n.sdf -rw-rw-r-- root/root 5447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zsr_o3n.sdf -rw-rw-r-- root/root 5709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zsv_zsv.sdf -rw-rw-r-- root/root 5153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zsw_zsw.sdf -rw-rw-r-- root/root 4672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zsx_n44.sdf -rw-rw-r-- root/root 4513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zsy_om3.sdf -rw-rw-r-- root/root 4176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zsz_om2.sdf -rw-rw-r-- root/root 4686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zt0_zt0.sdf -rw-rw-r-- root/root 4574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zt1_om1.sdf -rw-rw-r-- root/root 3437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zt2_zt2.sdf -rw-rw-r-- root/root 3458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zt3_zt4.sdf -rw-rw-r-- root/root 8260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zt6_acx.sdf -rw-rw-r-- root/root 3405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zt6_mal.sdf -rw-rw-r-- root/root 4485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3ztx_ztx.sdf -rw-rw-r-- root/root 3090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zu4_zu4.sdf -rw-rw-r-- root/root 2277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zv6_4hb.sdf -rw-rw-r-- root/root 2381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zv7_nhg.sdf -rw-rw-r-- root/root 3240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zw3_zw3.sdf -rw-rw-r-- root/root 3203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zws_avq.sdf -rw-rw-r-- root/root 3320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zwt_kfz.sdf -rw-rw-r-- root/root 4659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zxe_pgz.sdf -rw-rw-r-- root/root 4869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zxg_0sm.sdf -rw-rw-r-- root/root 3829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zxh_e41.sdf -rw-rw-r-- root/root 4752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zxi_tya.sdf -rw-rw-r-- root/root 3581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zxr_iq1.sdf -rw-rw-r-- root/root 4432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zxt_acp.sdf -rw-rw-r-- root/root 3969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zxv_mxi.sdf -rw-rw-r-- root/root 3998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zxz_krw.sdf -rw-rw-r-- root/root 3180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zyf_147.sdf -rw-rw-r-- root/root 2406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zyh_g0s.sdf -rw-rw-r-- root/root 3704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/3zze_6xp.sdf -rw-rw-r-- root/root 3008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a06_a06.sdf -rw-rw-r-- root/root 3542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a07_az7.sdf -rw-rw-r-- root/root 2152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a0h_kap.sdf -rw-rw-r-- root/root 2482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a0r_dtb.sdf -rw-rw-r-- root/root 4236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a16_h34.sdf -rw-rw-r-- root/root 1253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a22_so4.sdf -rw-rw-r-- root/root 4684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a2j_as0.sdf -rw-rw-r-- root/root 4708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a4l_939.sdf -rw-rw-r-- root/root 4997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a4o_664.sdf -rw-rw-r-- root/root 3163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a4v_yfd.sdf -rw-rw-r-- root/root 4095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a4w_yfb.sdf -rw-rw-r-- root/root 5173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a4x_jup.sdf -rw-rw-r-- root/root 3812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a50_dq6.sdf -rw-rw-r-- root/root 3681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a51_dq8.sdf -rw-rw-r-- root/root 3797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a55_p08.sdf -rw-rw-r-- root/root 5095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a5s_n7f.sdf -rw-rw-r-- root/root 4965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a5y_g7x.sdf -rw-rw-r-- root/root 2530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a6e_ase.sdf -rw-rw-r-- root/root 2567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a6k_i4d.sdf -rw-rw-r-- root/root 4212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a6l_p43.sdf -rw-rw-r-- root/root 3285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a6s_gs9.sdf -rw-rw-r-- root/root 2924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a6v_iky.sdf -rw-rw-r-- root/root 2577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a6w_5c1.sdf -rw-rw-r-- root/root 4868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a7b_3w4.sdf -rw-rw-r-- root/root 4867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a7b_3w5.sdf -rw-rw-r-- root/root 4015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a7c_e46.sdf -rw-rw-r-- root/root 2645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a7g_12i.sdf -rw-rw-r-- root/root 3531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a7i_a7i.sdf -rw-rw-r-- root/root 2766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a7q_4mq.sdf -rw-rw-r-- root/root 2414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a7t_5fw.sdf -rw-rw-r-- root/root 1977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a7y_nhf.sdf -rw-rw-r-- root/root 1837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a7z_ay9.sdf -rw-rw-r-- root/root 4127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a81_dxc.sdf -rw-rw-r-- root/root 2673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a8g_dmx.sdf -rw-rw-r-- root/root 2183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a8h_puw.sdf -rw-rw-r-- root/root 3087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a8v_2an.sdf -rw-rw-r-- root/root 7870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a92_f9k.sdf -rw-rw-r-- root/root 3959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a97_zpc.sdf -rw-rw-r-- root/root 2343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a9h_tvp.sdf -rw-rw-r-- root/root 2807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a9i_p9i.sdf -rw-rw-r-- root/root 1941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a9k_tyl.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a9m_p9m.sdf -rw-rw-r-- root/root 3179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a9n_a9n.sdf -rw-rw-r-- root/root 2297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a9o_a9o.sdf -rw-rw-r-- root/root 3718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a9r_ru5.sdf -rw-rw-r-- root/root 3718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a9s_ru9.sdf -rw-rw-r-- root/root 3831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a9t_a9t.sdf -rw-rw-r-- root/root 3801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4a9u_a9u.sdf -rw-rw-r-- root/root 4573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aa4_qc0.sdf -rw-rw-r-- root/root 4359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aa5_nqb.sdf -rw-rw-r-- root/root 3866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aa7_r82.sdf -rw-rw-r-- root/root 4562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aac_aav.sdf -rw-rw-r-- root/root 5837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aaw_r84.sdf -rw-rw-r-- root/root 2753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4abu_ft1.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4abv_ft2.sdf -rw-rw-r-- root/root 3462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4abw_42m.sdf -rw-rw-r-- root/root 5650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4abz_t1c.sdf -rw-rw-r-- root/root 4667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ac0_miy.sdf -rw-rw-r-- root/root 2893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ac2_43f.sdf -rw-rw-r-- root/root 4277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ac3_r83.sdf -rw-rw-r-- root/root 4314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4acc_7yg.sdf -rw-rw-r-- root/root 4439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4acd_gr9.sdf -rw-rw-r-- root/root 3731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4acf_46b.sdf -rw-rw-r-- root/root 5170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4acg_6lq.sdf -rw-rw-r-- root/root 4315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ach_kdi.sdf -rw-rw-r-- root/root 4499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ae3_aov.sdf -rw-rw-r-- root/root 3939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ael_4hn.sdf -rw-rw-r-- root/root 4745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4afe_ggy.sdf -rw-rw-r-- root/root 3374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4afj_sjj.sdf -rw-rw-r-- root/root 1830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4afz_tar.sdf -rw-rw-r-- root/root 2283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4agl_p84.sdf -rw-rw-r-- root/root 3121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4agm_p86.sdf -rw-rw-r-- root/root 3499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4agn_nxg.sdf -rw-rw-r-- root/root 4305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ago_p74.sdf -rw-rw-r-- root/root 4171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4agp_p51.sdf -rw-rw-r-- root/root 4183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4agq_p96.sdf -rw-rw-r-- root/root 4450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4agu_d15.sdf -rw-rw-r-- root/root 5805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4agw_ng7.sdf -rw-rw-r-- root/root 1948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ai8_dza.sdf -rw-rw-r-- root/root 2583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aiu_gc3.sdf -rw-rw-r-- root/root 2458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aj1_aj1.sdf -rw-rw-r-- root/root 2091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aj2_52c.sdf -rw-rw-r-- root/root 3175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aj4_vab.sdf -rw-rw-r-- root/root 6431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ajb_tap.sdf -rw-rw-r-- root/root 2298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ajd_f04.sdf -rw-rw-r-- root/root 2429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ajf_f03.sdf -rw-rw-r-- root/root 2162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ajg_f07.sdf -rw-rw-r-- root/root 2401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ajh_2b4.sdf -rw-rw-r-- root/root 2751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ajj_88r.sdf -rw-rw-r-- root/root 2922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ajj_88s.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ajl_88w.sdf -rw-rw-r-- root/root 4811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ajn_88v.sdf -rw-rw-r-- root/root 4816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ajo_88n.sdf -rw-rw-r-- root/root 3527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ajw_vwn.sdf -rw-rw-r-- root/root 2520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aky_4ll.sdf -rw-rw-r-- root/root 4810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4al1_48t.sdf -rw-rw-r-- root/root 5058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4al4_w7e.sdf -rw-rw-r-- root/root 4373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4alg_1gh.sdf -rw-rw-r-- root/root 2178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4alh_a9p.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4alk_e9p.sdf -rw-rw-r-- root/root 3293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4alu_79o.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4alv_r9p.sdf -rw-rw-r-- root/root 3440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4alw_hy7.sdf -rw-rw-r-- root/root 3134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4alx_izn.sdf -rw-rw-r-- root/root 2524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4am8_pao.sdf -rw-rw-r-- root/root 3887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ami_g90.sdf -rw-rw-r-- root/root 4180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4amj_cvd.sdf -rw-rw-r-- root/root 3196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aml_gyu.sdf -rw-rw-r-- root/root 3851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4an3_5y0.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4an9_2p7.sdf -rw-rw-r-- root/root 3808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4anb_yqy.sdf -rw-rw-r-- root/root 3418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4anm_wul.sdf -rw-rw-r-- root/root 3095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4anp_3qi.sdf -rw-rw-r-- root/root 4257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ans_vgh.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4anu_em7.sdf -rw-rw-r-- root/root 4957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4anv_751.sdf -rw-rw-r-- root/root 4207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4anw_o92.sdf -rw-rw-r-- root/root 4998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4anx_534.sdf -rw-rw-r-- root/root 3416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aof_7l0.sdf -rw-rw-r-- root/root 3921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aoi_4k0.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aoj_v4z.sdf -rw-rw-r-- root/root 5972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aot_gw8.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ap7_f47.sdf -rw-rw-r-- root/root 5660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4app_n53.sdf -rw-rw-r-- root/root 5363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4apu_a2k.sdf -rw-rw-r-- root/root 6899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aq3_398.sdf -rw-rw-r-- root/root 4535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aqc_88a.sdf -rw-rw-r-- root/root 3430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aqh_tb7.sdf -rw-rw-r-- root/root 4799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aqk_i6p.sdf -rw-rw-r-- root/root 3402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aql_txc.sdf -rw-rw-r-- root/root 2911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ara_c56.sdf -rw-rw-r-- root/root 2910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4arb_c57.sdf -rw-rw-r-- root/root 3757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ark_m3k.sdf -rw-rw-r-- root/root 5046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4as7_6lx.sdf -rw-rw-r-- root/root 5650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4as9_4qs.sdf -rw-rw-r-- root/root 5899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4asa_59c.sdf -rw-rw-r-- root/root 6134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4asb_8to.sdf -rw-rw-r-- root/root 4454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ase_av9.sdf -rw-rw-r-- root/root 6083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4asf_62u.sdf -rw-rw-r-- root/root 6226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4asg_814.sdf -rw-rw-r-- root/root 4208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ask_k0i.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4asx_6oj.sdf -rw-rw-r-- root/root 3640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4at3_lti.sdf -rw-rw-r-- root/root 4327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4at4_t6e.sdf -rw-rw-r-- root/root 3823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4at5_muj.sdf -rw-rw-r-- root/root 3383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4att_hnv.sdf -rw-rw-r-- root/root 2801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4au8_z3r.sdf -rw-rw-r-- root/root 2570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aua_4au.sdf -rw-rw-r-- root/root 3257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4auj_hnw.sdf -rw-rw-r-- root/root 4732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aux_xtc.sdf -rw-rw-r-- root/root 3205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4av4_fvq.sdf -rw-rw-r-- root/root 3872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4av5_fyz.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4avg_sl6.sdf -rw-rw-r-- root/root 2898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4avh_fk9.sdf -rw-rw-r-- root/root 3457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4avi_xns.sdf -rw-rw-r-- root/root 3882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4avj_j73.sdf -rw-rw-r-- root/root 3556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4avv_ghe.sdf -rw-rw-r-- root/root 3088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4avx_itp.sdf -rw-rw-r-- root/root 3488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aw0_mjf.sdf -rw-rw-r-- root/root 3845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aw1_21o.sdf -rw-rw-r-- root/root 4105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aw2_22e.sdf -rw-rw-r-- root/root 6589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aw3_myv.sdf -rw-rw-r-- root/root 5086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4aw5_30k.sdf -rw-rw-r-- root/root 4129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4awg_ci3.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4awi_aq2.sdf -rw-rw-r-- root/root 4480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4awk_ci1.sdf -rw-rw-r-- root/root 5401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ax9_n5n.sdf -rw-rw-r-- root/root 3408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4axa_rkd.sdf -rw-rw-r-- root/root 1884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4axb_fp1.sdf -rw-rw-r-- root/root 3949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4axf_4my.sdf -rw-rw-r-- root/root 1971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ayu_n8p.sdf -rw-rw-r-- root/root 4013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4az0_s61.sdf -rw-rw-r-- root/root 4845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4az3_s35.sdf -rw-rw-r-- root/root 2569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4az7_log.sdf -rw-rw-r-- root/root 2500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4azc_ngw.sdf -rw-rw-r-- root/root 4813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4azm_t4b.sdf -rw-rw-r-- root/root 3419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4azr_a9m.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b05_32d.sdf -rw-rw-r-- root/root 2274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b0b_54f.sdf -rw-rw-r-- root/root 1961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b0c_c9h.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b0g_vek.sdf -rw-rw-r-- root/root 2896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b0i_kbp.sdf -rw-rw-r-- root/root 2095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b0j_3mq.sdf -rw-rw-r-- root/root 4611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b1f_krh.sdf -rw-rw-r-- root/root 5928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b1i_a8p.sdf -rw-rw-r-- root/root 4954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b1j_a1r.sdf -rw-rw-r-- root/root 4794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b1r_itc.sdf -rw-rw-r-- root/root 3628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b2h_c3f.sdf -rw-rw-r-- root/root 2544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b2l_tr7.sdf -rw-rw-r-- root/root 1924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b33_1np.sdf -rw-rw-r-- root/root 2187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b35_4me.sdf -rw-rw-r-- root/root 4444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b3a_tac.sdf -rw-rw-r-- root/root 1818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b3d_5mi.sdf -rw-rw-r-- root/root 2262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b4l_1pe.sdf -rw-rw-r-- root/root 4774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b6c_b5u.sdf -rw-rw-r-- root/root 1831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b6e_10l.sdf -rw-rw-r-- root/root 2428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b6f_20l.sdf -rw-rw-r-- root/root 4907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b6l_9zp.sdf -rw-rw-r-- root/root 3367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b6o_3dq.sdf -rw-rw-r-- root/root 3509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b6q_bz5.sdf -rw-rw-r-- root/root 3811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b6s_2hn.sdf -rw-rw-r-- root/root 2946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b71_djl.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b72_2fb.sdf -rw-rw-r-- root/root 3699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b73_4va.sdf -rw-rw-r-- root/root 4077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b74_1lh.sdf -rw-rw-r-- root/root 2679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b76_pw1.sdf -rw-rw-r-- root/root 3758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b77_54m.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b7d_qle.sdf -rw-rw-r-- root/root 4580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b7p_9un.sdf -rw-rw-r-- root/root 3228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b7t_cwt.sdf -rw-rw-r-- root/root 2879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b7z_q4q.sdf -rw-rw-r-- root/root 2887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b80_a36.sdf -rw-rw-r-- root/root 2900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b81_zn4.sdf -rw-rw-r-- root/root 2770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b82_b3z.sdf -rw-rw-r-- root/root 2870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b83_b3v.sdf -rw-rw-r-- root/root 3125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b84_z5k.sdf -rw-rw-r-- root/root 2770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b85_b3w.sdf -rw-rw-r-- root/root 4459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b8l_a0p.sdf -rw-rw-r-- root/root 3042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b8u_ibk.sdf -rw-rw-r-- root/root 6140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b99_r4l.sdf -rw-rw-r-- root/root 3425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4b9d_ck7.sdf -rw-rw-r-- root/root 4739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bae_rwx.sdf -rw-rw-r-- root/root 2960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bal_hm6.sdf -rw-rw-r-- root/root 3054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bar_ikx.sdf -rw-rw-r-- root/root 2877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bb3_kka.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bb4_32w.sdf -rw-rw-r-- root/root 4446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bb5_hd2.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bb6_hd1.sdf -rw-rw-r-- root/root 4063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bbe_3o4.sdf -rw-rw-r-- root/root 4586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bbf_o19.sdf -rw-rw-r-- root/root 3717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bbg_v02.sdf -rw-rw-r-- root/root 4344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bbm_tc0.sdf -rw-rw-r-- root/root 3793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bbx_lkf.sdf -rw-rw-r-- root/root 1981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bbz_4oj.sdf -rw-rw-r-- root/root 1850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bc5_5fx.sdf -rw-rw-r-- root/root 2080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bc7_1do.sdf -rw-rw-r-- root/root 4865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bcd_tdv.sdf -rw-rw-r-- root/root 4618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bcf_t6q.sdf -rw-rw-r-- root/root 4268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bcg_t3c.sdf -rw-rw-r-- root/root 4628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bch_t7z.sdf -rw-rw-r-- root/root 3896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bci_t3e.sdf -rw-rw-r-- root/root 3564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bcj_t9n.sdf -rw-rw-r-- root/root 4386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bcq_tjf.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bda_vfb.sdf -rw-rw-r-- root/root 2106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bdb_odo.sdf -rw-rw-r-- root/root 2883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bdc_odh.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bdd_z0o.sdf -rw-rw-r-- root/root 2065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bde_cws.sdf -rw-rw-r-- root/root 2071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bdf_h3r.sdf -rw-rw-r-- root/root 2074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bdg_p3j.sdf -rw-rw-r-- root/root 2107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bdh_wvi.sdf -rw-rw-r-- root/root 2902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bdi_hau.sdf -rw-rw-r-- root/root 2720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bdj_z2m.sdf -rw-rw-r-- root/root 3223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bdk_rqq.sdf -rw-rw-r-- root/root 1857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bds_fpk.sdf -rw-rw-r-- root/root 3204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bdt_huw.sdf -rw-rw-r-- root/root 3286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bdy_cij.sdf -rw-rw-r-- root/root 3187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bdz_19c.sdf -rw-rw-r-- root/root 3289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4be0_bf3.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4be1_ci4.sdf -rw-rw-r-- root/root 3915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4be2_xz2.sdf -rw-rw-r-- root/root 2901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bel_b3p.sdf -rw-rw-r-- root/root 4400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bet_cdc.sdf -rw-rw-r-- root/root 5158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bfp_swy.sdf -rw-rw-r-- root/root 4472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bfs_zvs.sdf -rw-rw-r-- root/root 4133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bft_zvt.sdf -rw-rw-r-- root/root 4245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bfu_zvu.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bfv_zvv.sdf -rw-rw-r-- root/root 5275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bfw_zvw.sdf -rw-rw-r-- root/root 4238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bfx_zvx.sdf -rw-rw-r-- root/root 4406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bfy_zvy.sdf -rw-rw-r-- root/root 4533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bfz_zvz.sdf -rw-rw-r-- root/root 2101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bg1_ivl.sdf -rw-rw-r-- root/root 5262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bge_pyw.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bgg_844.sdf -rw-rw-r-- root/root 5300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bgi_i4i.sdf -rw-rw-r-- root/root 1865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bgk_rtk.sdf -rw-rw-r-- root/root 2116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bgm_dlt.sdf -rw-rw-r-- root/root 1988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bhf_mzt.sdf -rw-rw-r-- root/root 1986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bhg_c2t.sdf -rw-rw-r-- root/root 1984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bhi_ruj.sdf -rw-rw-r-- root/root 3832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bhn_bh9.sdf -rw-rw-r-- root/root 8355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bhw_01k.sdf -rw-rw-r-- root/root 2201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bhz_z0b.sdf -rw-rw-r-- root/root 2184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bi0_z0w.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bi1_zo6.sdf -rw-rw-r-- root/root 2201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bi2_zo8.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bib_ieo.sdf -rw-rw-r-- root/root 3187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bic_ie4.sdf -rw-rw-r-- root/root 4236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bid_ie8.sdf -rw-rw-r-- root/root 3326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bie_ie6.sdf -rw-rw-r-- root/root 2310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bis_8hq.sdf -rw-rw-r-- root/root 5124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bky_82b.sdf -rw-rw-r-- root/root 3928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bkz_1ws.sdf -rw-rw-r-- root/root 6329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bli_gmk.sdf -rw-rw-r-- root/root 5816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4blj_70b.sdf -rw-rw-r-- root/root 7294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bm8_a6j.sdf -rw-rw-r-- root/root 5191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bmm_tu1.sdf -rw-rw-r-- root/root 2962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bn4_op2.sdf -rw-rw-r-- root/root 4707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bn5_sr7.sdf -rw-rw-r-- root/root 2600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bnf_pv4.sdf -rw-rw-r-- root/root 2819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bng_5pp.sdf -rw-rw-r-- root/root 2207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bnt_36e.sdf -rw-rw-r-- root/root 3105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bnu_9kq.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bnv_q7u.sdf -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bnx_o74.sdf -rw-rw-r-- root/root 3138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bny_36i.sdf -rw-rw-r-- root/root 2877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bnz_8m5.sdf -rw-rw-r-- root/root 3473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bo0_fxe.sdf -rw-rw-r-- root/root 3471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bo1_nkh.sdf -rw-rw-r-- root/root 3352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bo2_36k.sdf -rw-rw-r-- root/root 3138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bo3_u98.sdf -rw-rw-r-- root/root 3153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bo4_36g.sdf -rw-rw-r-- root/root 2920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bo5_wi4.sdf -rw-rw-r-- root/root 3186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bo6_36p.sdf -rw-rw-r-- root/root 2959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bo7_j2t.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bo8_34x.sdf -rw-rw-r-- root/root 3468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bo9_3x3.sdf -rw-rw-r-- root/root 5556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bpm_lvj.sdf -rw-rw-r-- root/root 3970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bqj_xkl.sdf -rw-rw-r-- root/root 4173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bqp_vmy.sdf -rw-rw-r-- root/root 3855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bqr_ibh.sdf -rw-rw-r-- root/root 2556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bqs_k2q.sdf -rw-rw-r-- root/root 3063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bqw_qnm.sdf -rw-rw-r-- root/root 3071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bqy_fnt.sdf -rw-rw-r-- root/root 2661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4br3_a4v.sdf -rw-rw-r-- root/root 4553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4br3_u85.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4brx_kgw.sdf -rw-rw-r-- root/root 2094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bs0_6nt.sdf -rw-rw-r-- root/root 2956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bs4_a64.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4btl_5gz.sdf -rw-rw-r-- root/root 5510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4btl_pe3.sdf -rw-rw-r-- root/root 3160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4btm_f8e.sdf -rw-rw-r-- root/root 3647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4btw_jw7.sdf -rw-rw-r-- root/root 3283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4btx_wf8.sdf -rw-rw-r-- root/root 4607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bty_jwf.sdf -rw-rw-r-- root/root 2775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bu7_25f.sdf -rw-rw-r-- root/root 2911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bu8_27f.sdf -rw-rw-r-- root/root 2882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bu9_08c.sdf -rw-rw-r-- root/root 2889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bua_91f.sdf -rw-rw-r-- root/root 3107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bud_29f.sdf -rw-rw-r-- root/root 3487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bue_jqf.sdf -rw-rw-r-- root/root 2992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4buf_f36.sdf -rw-rw-r-- root/root 3131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bui_w2e.sdf -rw-rw-r-- root/root 3265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bus_32f.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4but_31f.sdf -rw-rw-r-- root/root 3281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4buu_f38.sdf -rw-rw-r-- root/root 3620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4buv_16i.sdf -rw-rw-r-- root/root 3397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4buw_f33.sdf -rw-rw-r-- root/root 3640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bux_f35.sdf -rw-rw-r-- root/root 3671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4buy_f37.sdf -rw-rw-r-- root/root 3039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bv5_5c3.sdf -rw-rw-r-- root/root 1941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bv7_bv7.sdf -rw-rw-r-- root/root 3584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bvc_bv5.sdf -rw-rw-r-- root/root 3401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bvd_bu6.sdf -rw-rw-r-- root/root 5343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bvg_oad.sdf -rw-rw-r-- root/root 2749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bvh_ocz.sdf -rw-rw-r-- root/root 3153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bvn_p32.sdf -rw-rw-r-- root/root 2575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bvx_i3c.sdf -rw-rw-r-- root/root 4317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bw1_s5b.sdf -rw-rw-r-- root/root 4337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bw2_uth.sdf -rw-rw-r-- root/root 4570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bw3_9bm.sdf -rw-rw-r-- root/root 4719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bw4_9b6.sdf -rw-rw-r-- root/root 2434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bwl_mn9.sdf -rw-rw-r-- root/root 3870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bwm_dct.sdf -rw-rw-r-- root/root 2948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bwm_doc.sdf -rw-rw-r-- root/root 6070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bx7_b4f.sdf -rw-rw-r-- root/root 4782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bxk_1iu.sdf -rw-rw-r-- root/root 5055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4by0_5ps.sdf -rw-rw-r-- root/root 3969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4byi_fh3.sdf -rw-rw-r-- root/root 3845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4byj_fh5.sdf -rw-rw-r-- root/root 4089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bzd_d6i.sdf -rw-rw-r-- root/root 3609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bzn_ugx.sdf -rw-rw-r-- root/root 4328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bzo_676.sdf -rw-rw-r-- root/root 1755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4bzs_9x6.sdf -rw-rw-r-- root/root 5894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c0c_wvh.sdf -rw-rw-r-- root/root 4805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c0w_12p.sdf -rw-rw-r-- root/root 9755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c14_fd5.sdf -rw-rw-r-- root/root 2368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c1g_mco.sdf -rw-rw-r-- root/root 3039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c1i_eh9.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c1m_nih.sdf -rw-rw-r-- root/root 1925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c21_foc.sdf -rw-rw-r-- root/root 1971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c22_cvu.sdf -rw-rw-r-- root/root 6074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c27_26n.sdf -rw-rw-r-- root/root 5766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c28_tw5.sdf -rw-rw-r-- root/root 2322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c2p_x8z.sdf -rw-rw-r-- root/root 5051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c2v_yja.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c35_nu3.sdf -rw-rw-r-- root/root 2954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c36_zo9.sdf -rw-rw-r-- root/root 2833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c37_z21.sdf -rw-rw-r-- root/root 2825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c38_vup.sdf -rw-rw-r-- root/root 3835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c3a_q16.sdf -rw-rw-r-- root/root 3469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c3f_7kw.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c4e_4t9.sdf -rw-rw-r-- root/root 3395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c4f_7ce.sdf -rw-rw-r-- root/root 3070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c4g_7pe.sdf -rw-rw-r-- root/root 4799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c4g_7ro.sdf -rw-rw-r-- root/root 4676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c4i_x20.sdf -rw-rw-r-- root/root 4940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c4j_x21.sdf -rw-rw-r-- root/root 2602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c4r_yo5.sdf -rw-rw-r-- root/root 2760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c4t_grx.sdf -rw-rw-r-- root/root 2305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c4x_w9m.sdf -rw-rw-r-- root/root 2421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c4y_7wi.sdf -rw-rw-r-- root/root 2511 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c4z_w9l.sdf -rw-rw-r-- root/root 4788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c52_x0d.sdf -rw-rw-r-- root/root 2033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c5a_ds0.sdf -rw-rw-r-- root/root 5266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c5d_x0r.sdf -rw-rw-r-- root/root 1882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c5w_nm3.sdf -rw-rw-r-- root/root 3942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c61_lmm.sdf -rw-rw-r-- root/root 4154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c62_xww.sdf -rw-rw-r-- root/root 2136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c6l_fot.sdf -rw-rw-r-- root/root 2505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c6z_tle.sdf -rw-rw-r-- root/root 2618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c70_tlj.sdf -rw-rw-r-- root/root 3097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c71_7rd.sdf -rw-rw-r-- root/root 2626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c72_tlg.sdf -rw-rw-r-- root/root 2988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c73_tlh.sdf -rw-rw-r-- root/root 2665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c7b_bvb.sdf -rw-rw-r-- root/root 3848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c7j_4yq.sdf -rw-rw-r-- root/root 3853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c7k_dzl.sdf -rw-rw-r-- root/root 4176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c7t_5ri.sdf -rw-rw-r-- root/root 4503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c8k_bmr.sdf -rw-rw-r-- root/root 3391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c8r_6yt.sdf -rw-rw-r-- root/root 3947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c9f_gq2.sdf -rw-rw-r-- root/root 6643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c9f_gq4.sdf -rw-rw-r-- root/root 4265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4c9x_vhs.sdf -rw-rw-r-- root/root 2868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ca4_kgm.sdf -rw-rw-r-- root/root 6722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ca6_3ef.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cao_m46.sdf -rw-rw-r-- root/root 3369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cap_ml6.sdf -rw-rw-r-- root/root 3361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4caq_m68.sdf -rw-rw-r-- root/root 3251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4car_m87.sdf -rw-rw-r-- root/root 4814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4caw_p3u.sdf -rw-rw-r-- root/root 4468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cax_646.sdf -rw-rw-r-- root/root 3646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cb5_93g.sdf -rw-rw-r-- root/root 3730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cb6_29r.sdf -rw-rw-r-- root/root 3684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cb7_41g.sdf -rw-rw-r-- root/root 3820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cbt_9f4.sdf -rw-rw-r-- root/root 3579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cby_kee.sdf -rw-rw-r-- root/root 2109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cc5_l5v.sdf -rw-rw-r-- root/root 3426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cc6_l5y.sdf -rw-rw-r-- root/root 4037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ccb_ofg.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ccu_awf.sdf -rw-rw-r-- root/root 4688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cd0_awj.sdf -rw-rw-r-- root/root 4082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cd3_8e9.sdf -rw-rw-r-- root/root 3764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ce1_7fk.sdf -rw-rw-r-- root/root 3659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ce2_bo5.sdf -rw-rw-r-- root/root 3544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ce3_l4v.sdf -rw-rw-r-- root/root 5234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cec_2ss.sdf -rw-rw-r-- root/root 5338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ced_9ns.sdf -rw-rw-r-- root/root 4875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cee_b0t.sdf -rw-rw-r-- root/root 5203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cef_d0t.sdf -rw-rw-r-- root/root 5436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ceo_g0t.sdf -rw-rw-r-- root/root 5229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ceq_qch.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cer_vl4.sdf -rw-rw-r-- root/root 5110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ces_nfw.sdf -rw-rw-r-- root/root 5150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cf0_o5u.sdf -rw-rw-r-- root/root 5043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cf1_iy7.sdf -rw-rw-r-- root/root 4931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cf2_3gm.sdf -rw-rw-r-- root/root 5086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cf8_v7h.sdf -rw-rw-r-- root/root 4234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cf9_5ey.sdf -rw-rw-r-- root/root 4855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cfa_wop.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cfc_7nv.sdf -rw-rw-r-- root/root 4505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cfd_s8y.sdf -rw-rw-r-- root/root 3325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cfl_8dq.sdf -rw-rw-r-- root/root 2197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cfs_hqd.sdf -rw-rw-r-- root/root 3358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cft_m48.sdf -rw-rw-r-- root/root 3972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cfu_2wc.sdf -rw-rw-r-- root/root 3735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cfv_75x.sdf -rw-rw-r-- root/root 4101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cfw_sq9.sdf -rw-rw-r-- root/root 3973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cfx_g6t.sdf -rw-rw-r-- root/root 5626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cg8_g8s.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cg9_gqg.sdf -rw-rw-r-- root/root 3495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cga_qlw.sdf -rw-rw-r-- root/root 3018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cgd_8p3.sdf -rw-rw-r-- root/root 3460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cgf_uj6.sdf -rw-rw-r-- root/root 4338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cgg_k5q.sdf -rw-rw-r-- root/root 4174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cgh_loz.sdf -rw-rw-r-- root/root 4392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cgi_nzl.sdf -rw-rw-r-- root/root 2561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cho_u2z.sdf -rw-rw-r-- root/root 3467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4chq_cwu.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4chy_c5q.sdf -rw-rw-r-- root/root 2911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ci1_ef2.sdf -rw-rw-r-- root/root 3024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ci3_y70.sdf -rw-rw-r-- root/root 4166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ci4_y1n.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cib_7uz.sdf -rw-rw-r-- root/root 4404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cie_y7n.sdf -rw-rw-r-- root/root 4519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cif_jdx.sdf -rw-rw-r-- root/root 4984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cig_x0p.sdf -rw-rw-r-- root/root 2958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cik_xo3.sdf -rw-rw-r-- root/root 2407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4civ_48p.sdf -rw-rw-r-- root/root 2525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ciw_xh2.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cix_w4n.sdf -rw-rw-r-- root/root 3242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ciy_ndy.sdf -rw-rw-r-- root/root 4286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cj3_e4f.sdf -rw-rw-r-- root/root 4002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cj4_s3g.sdf -rw-rw-r-- root/root 4122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cj5_4vw.sdf -rw-rw-r-- root/root 4038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cje_q31.sdf -rw-rw-r-- root/root 3448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cjf_rvn.sdf -rw-rw-r-- root/root 4024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cjk_h39.sdf -rw-rw-r-- root/root 3871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cjl_9pa.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cjp_4d2.sdf -rw-rw-r-- root/root 4479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cjq_vxo.sdf -rw-rw-r-- root/root 4898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cjr_fym.sdf -rw-rw-r-- root/root 4592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cjs_l0y.sdf -rw-rw-r-- root/root 3027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cju_jns.sdf -rw-rw-r-- root/root 3763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ck3_k1t.sdf -rw-rw-r-- root/root 5286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ck8_lfd.sdf -rw-rw-r-- root/root 3874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ck9_lft.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cka_lfs.sdf -rw-rw-r-- root/root 5419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ckr_di1.sdf -rw-rw-r-- root/root 6461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cku_p2f.sdf -rw-rw-r-- root/root 2491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cky_nd3.sdf -rw-rw-r-- root/root 2388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cl0_9py.sdf -rw-rw-r-- root/root 931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cl6_7sb.sdf -rw-rw-r-- root/root 4270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4clb_83t.sdf -rw-rw-r-- root/root 3924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4clz_4ds.sdf -rw-rw-r-- root/root 4102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cmo_ypw.sdf -rw-rw-r-- root/root 4492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cmt_gwh.sdf -rw-rw-r-- root/root 4074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cmu_iv7.sdf -rw-rw-r-- root/root 3909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cn1_m1f.sdf -rw-rw-r-- root/root 3464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cn6_n9s.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cnh_3u9.sdf -rw-rw-r-- root/root 2361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cnp_9c4.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cod_kv1.sdf -rw-rw-r-- root/root 5901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4coh_t9h.sdf -rw-rw-r-- root/root 7854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cp3_rbt.sdf -rw-rw-r-- root/root 3890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cp5_eoi.sdf -rw-rw-r-- root/root 5323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cpe_luv.sdf -rw-rw-r-- root/root 5809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cpf_lh3.sdf -rw-rw-r-- root/root 6916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cpi_lh4.sdf -rw-rw-r-- root/root 1838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cpp_adm.sdf -rw-rw-r-- root/root 1835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cq5_tca.sdf -rw-rw-r-- root/root 3146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cq6_t25.sdf -rw-rw-r-- root/root 3108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cq7_whw.sdf -rw-rw-r-- root/root 3416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cq8_jbw.sdf -rw-rw-r-- root/root 3524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cq9_xbl.sdf -rw-rw-r-- root/root 3482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cqa_id6.sdf -rw-rw-r-- root/root 5803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cqe_cqe.sdf -rw-rw-r-- root/root 4635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cqg_ot5.sdf -rw-rw-r-- root/root 3201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cqj_efa.sdf -rw-rw-r-- root/root 4350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cqn_ila.sdf -rw-rw-r-- root/root 897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cr5_0tu.sdf -rw-rw-r-- root/root 2184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cr9_otw.sdf -rw-rw-r-- root/root 5220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cra_xj8.sdf -rw-rw-r-- root/root 5472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4crb_7p0.sdf -rw-rw-r-- root/root 5365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4crc_otm.sdf -rw-rw-r-- root/root 4870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4crd_otj.sdf -rw-rw-r-- root/root 2203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cre_mvn.sdf -rw-rw-r-- root/root 4070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4crg_j4x.sdf -rw-rw-r-- root/root 4748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4crl_c1i.sdf -rw-rw-r-- root/root 2750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cs4_axz.sdf -rw-rw-r-- root/root 4565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4csj_nn7.sdf -rw-rw-r-- root/root 4101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4css_cwx.sdf -rw-rw-r-- root/root 3895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cst_cwk.sdf -rw-rw-r-- root/root 3698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ct1_31s.sdf -rw-rw-r-- root/root 4561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ctb_kvc.sdf -rw-rw-r-- root/root 4324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ctc_j99.sdf -rw-rw-r-- root/root 3900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ctp_2ik.sdf -rw-rw-r-- root/root 3903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ctr_s20.sdf -rw-rw-r-- root/root 4023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ctu_s42.sdf -rw-rw-r-- root/root 4034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ctv_7s7.sdf -rw-rw-r-- root/root 3900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cty_s5d.sdf -rw-rw-r-- root/root 3762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ctz_s7k.sdf -rw-rw-r-- root/root 4040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cu0_s71.sdf -rw-rw-r-- root/root 1949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cup_zyb.sdf -rw-rw-r-- root/root 2192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cuq_5k3.sdf -rw-rw-r-- root/root 1845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cur_la7.sdf -rw-rw-r-- root/root 1930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cus_es1.sdf -rw-rw-r-- root/root 2100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cuu_y6m.sdf -rw-rw-r-- root/root 3222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cuz_aew.sdf -rw-rw-r-- root/root 3489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cv2_pt6.sdf -rw-rw-r-- root/root 3202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cv3_vt4.sdf -rw-rw-r-- root/root 2335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cv8_3d7.sdf -rw-rw-r-- root/root 4087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cv9_w2k.sdf -rw-rw-r-- root/root 3955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cva_wbi.sdf -rw-rw-r-- root/root 2460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cw6_xds.sdf -rw-rw-r-- root/root 1997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cwd_449.sdf -rw-rw-r-- root/root 3614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cwn_6lv.sdf -rw-rw-r-- root/root 4018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cwq_w2d.sdf -rw-rw-r-- root/root 3672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cwr_haj.sdf -rw-rw-r-- root/root 4025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cws_g3r.sdf -rw-rw-r-- root/root 4190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cwt_ik9.sdf -rw-rw-r-- root/root 3788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cwv_hw8.sdf -rw-rw-r-- root/root 3906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cww_hw9.sdf -rw-rw-r-- root/root 2657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cxu_62y.sdf -rw-rw-r-- root/root 3524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cxw_6mk.sdf -rw-rw-r-- root/root 3988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cxx_640.sdf -rw-rw-r-- root/root 2691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cxy_dgr.sdf -rw-rw-r-- root/root 3161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cyg_rrv.sdf -rw-rw-r-- root/root 1824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4cys_sv7.sdf -rw-rw-r-- root/root 4440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d08_q2t.sdf -rw-rw-r-- root/root 4179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d09_788.sdf -rw-rw-r-- root/root 3484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d0r_41i.sdf -rw-rw-r-- root/root 4084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d0s_9g4.sdf -rw-rw-r-- root/root 3419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d0w_vvq.sdf -rw-rw-r-- root/root 3771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d0x_953.sdf -rw-rw-r-- root/root 2329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d17_iup.sdf -rw-rw-r-- root/root 2724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d1a_i5h.sdf -rw-rw-r-- root/root 5072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d1s_bjg.sdf -rw-rw-r-- root/root 4133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d2p_6z7.sdf -rw-rw-r-- root/root 4473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d2s_dyk.sdf -rw-rw-r-- root/root 3630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d2t_3i7.sdf -rw-rw-r-- root/root 3912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d2v_45r.sdf -rw-rw-r-- root/root 3155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d2w_nf5.sdf -rw-rw-r-- root/root 3461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d30_eg8.sdf -rw-rw-r-- root/root 3632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d32_7f5.sdf -rw-rw-r-- root/root 3457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d34_e2z.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d37_9hl.sdf -rw-rw-r-- root/root 3701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d38_l5z.sdf -rw-rw-r-- root/root 3452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d39_olw.sdf -rw-rw-r-- root/root 3606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d3b_6j0.sdf -rw-rw-r-- root/root 3980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d3i_1et.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d3j_xfn.sdf -rw-rw-r-- root/root 4109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d3m_ivu.sdf -rw-rw-r-- root/root 3854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d3n_sk6.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d3o_s97.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d3t_rfq.sdf -rw-rw-r-- root/root 3285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d41_ja1.sdf -rw-rw-r-- root/root 3122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d43_9w7.sdf -rw-rw-r-- root/root 2779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d46_j47.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d4j_bki.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d4k_bke.sdf -rw-rw-r-- root/root 3386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d4l_bks.sdf -rw-rw-r-- root/root 3387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d4m_bkv.sdf -rw-rw-r-- root/root 3141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d4v_kb8.sdf -rw-rw-r-- root/root 2935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d5h_9rm.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d6z_pk9.sdf -rw-rw-r-- root/root 4886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d76_j1j.sdf -rw-rw-r-- root/root 4238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d78_j9k.sdf -rw-rw-r-- root/root 4612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d7d_pkt.sdf -rw-rw-r-- root/root 4773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d7f_ixa.sdf -rw-rw-r-- root/root 4613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d7g_e6u.sdf -rw-rw-r-- root/root 3618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d7o_0gd.sdf -rw-rw-r-- root/root 4355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d8n_0hm.sdf -rw-rw-r-- root/root 3080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d8s_0hx.sdf -rw-rw-r-- root/root 3387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d96_5pa.sdf -rw-rw-r-- root/root 1493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d97_dsn.sdf -rw-rw-r-- root/root 3359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d9e_lcs.sdf -rw-rw-r-- root/root 3193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d9m_0jo.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4d9t_0jg.sdf -rw-rw-r-- root/root 2936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4da0_gng.sdf -rw-rw-r-- root/root 3320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4da5_0h7.sdf -rw-rw-r-- root/root 2766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4da6_ga2.sdf -rw-rw-r-- root/root 3193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4da8_bg2.sdf -rw-rw-r-- root/root 3100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dae_6cr.sdf -rw-rw-r-- root/root 3046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dar_tbn.sdf -rw-rw-r-- root/root 4284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4daw_0h2.sdf -rw-rw-r-- root/root 5247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dbn_0ja.sdf -rw-rw-r-- root/root 3362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dbs_0hv.sdf -rw-rw-r-- root/root 2992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dbu_bt9.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dbw_511.sdf -rw-rw-r-- root/root 4907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dce_0jf.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dcg_mg7.sdf -rw-rw-r-- root/root 3645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dch_4dc.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dcx_l2d.sdf -rw-rw-r-- root/root 4102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dcy_l2m.sdf -rw-rw-r-- root/root 2418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ddh_ms0.sdf -rw-rw-r-- root/root 2119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ddk_0hn.sdf -rw-rw-r-- root/root 4285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ddl_0jq.sdf -rw-rw-r-- root/root 2103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ddm_0ho.sdf -rw-rw-r-- root/root 3710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ddr_mmv.sdf -rw-rw-r-- root/root 3693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dea_nhi.sdf -rw-rw-r-- root/root 3830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4deb_nhj.sdf -rw-rw-r-- root/root 3715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ded_nhu.sdf -rw-rw-r-- root/root 4149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4deg_0jj.sdf -rw-rw-r-- root/root 3878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4deh_0jk.sdf -rw-rw-r-- root/root 4643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dei_0jl.sdf -rw-rw-r-- root/root 6409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4df4_0l3.sdf -rw-rw-r-- root/root 5058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4df8_0l4.sdf -rw-rw-r-- root/root 6005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dfg_0jv.sdf -rw-rw-r-- root/root 4719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dfj_0kl.sdf -rw-rw-r-- root/root 6071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dfk_0l5.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dfl_0k0.sdf -rw-rw-r-- root/root 4729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dfm_0l6.sdf -rw-rw-r-- root/root 4669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dfn_0k1.sdf -rw-rw-r-- root/root 5206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dfp_0l7.sdf -rw-rw-r-- root/root 4462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dgg_i76.sdf -rw-rw-r-- root/root 2494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dgo_0jw.sdf -rw-rw-r-- root/root 3827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dgr_3lv.sdf -rw-rw-r-- root/root 8482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dh0_mr8.sdf -rw-rw-r-- root/root 4619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dhf_0k6.sdf -rw-rw-r-- root/root 2455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dhl_0k7.sdf -rw-rw-r-- root/root 3616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dhm_0kb.sdf -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dhn_0kc.sdf -rw-rw-r-- root/root 3372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dho_y09.sdf -rw-rw-r-- root/root 3754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dhp_y07.sdf -rw-rw-r-- root/root 3271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dhq_y06.sdf -rw-rw-r-- root/root 3269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dhr_y04.sdf -rw-rw-r-- root/root 3397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dhs_y03.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dht_0kg.sdf -rw-rw-r-- root/root 3395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dhu_0kh.sdf -rw-rw-r-- root/root 2741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4di5_1ga.sdf -rw-rw-r-- root/root 1726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4di5_dpo.sdf -rw-rw-r-- root/root 2324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4di8_0gy.sdf -rw-rw-r-- root/root 4709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dig_mu2.sdf -rw-rw-r-- root/root 5390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dij_blf.sdf -rw-rw-r-- root/root 3410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dit_0kd.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4djh_jdc.sdf -rw-rw-r-- root/root 5412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4djq_m86.sdf -rw-rw-r-- root/root 5486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4djr_0kj.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4djv_0km.sdf -rw-rw-r-- root/root 3748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4djw_0kp.sdf -rw-rw-r-- root/root 3812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4djy_0kr.sdf -rw-rw-r-- root/root 4727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dk5_0ko.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dk7_0ks.sdf -rw-rw-r-- root/root 4453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dk8_0kt.sdf -rw-rw-r-- root/root 3181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dld_tzg.sdf -rw-rw-r-- root/root 3684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dlj_6rg.sdf -rw-rw-r-- root/root 1735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dlp_mse.sdf -rw-rw-r-- root/root 3739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dm6_ttb.sdf -rw-rw-r-- root/root 3639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dmn_0l9.sdf -rw-rw-r-- root/root 1924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dnj_ann.sdf -rw-rw-r-- root/root 2455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4do4_djn.sdf -rw-rw-r-- root/root 4583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dob_grc.sdf -rw-rw-r-- root/root 4373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dpd_dhf.sdf -rw-rw-r-- root/root 3372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dph_p65.sdf -rw-rw-r-- root/root 2913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dq4_eic.sdf -rw-rw-r-- root/root 8036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4drj_rap.sdf -rw-rw-r-- root/root 5602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4drk_i63.sdf -rw-rw-r-- root/root 6143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4drn_0mc.sdf -rw-rw-r-- root/root 5627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dro_0md.sdf -rw-rw-r-- root/root 4929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4drq_0os.sdf -rw-rw-r-- root/root 4108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dsa_d1c.sdf -rw-rw-r-- root/root 3084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dsc_a8s.sdf -rw-rw-r-- root/root 2410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dsy_0lo.sdf -rw-rw-r-- root/root 3765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dsz_dc3.sdf -rw-rw-r-- root/root 2222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dt2_0lv.sdf -rw-rw-r-- root/root 4541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dtc_d5c.sdf -rw-rw-r-- root/root 3699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dtk_7li.sdf -rw-rw-r-- root/root 3763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4duh_rli.sdf -rw-rw-r-- root/root 2392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4duk_bzs.sdf -rw-rw-r-- root/root 4105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dv8_0lx.sdf -rw-rw-r-- root/root 4446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dvi_2iw.sdf -rw-rw-r-- root/root 3386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dvr_0ly.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dw6_0mn.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dx5_c14.sdf -rw-rw-r-- root/root 1626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dx5_dd9.sdf -rw-rw-r-- root/root 1523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dx5_oct.sdf -rw-rw-r-- root/root 5257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dx7_dm2.sdf -rw-rw-r-- root/root 3401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dxd_9pc.sdf -rw-rw-r-- root/root 6714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dy6_a22.sdf -rw-rw-r-- root/root 5316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dya_0mf.sdf -rw-rw-r-- root/root 5432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dyb_0mh.sdf -rw-rw-r-- root/root 5534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dyn_0mr.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dyp_0ms.sdf -rw-rw-r-- root/root 3105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dz0_aen.sdf -rw-rw-r-- root/root 3389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dz7_d02.sdf -rw-rw-r-- root/root 3756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dz9_id4.sdf -rw-rw-r-- root/root 2079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4dzy_wj1.sdf -rw-rw-r-- root/root 2913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e1g_lnl.sdf -rw-rw-r-- root/root 4034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e1k_0n5.sdf -rw-rw-r-- root/root 3966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e1m_tq2.sdf -rw-rw-r-- root/root 4502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e1n_tqx.sdf -rw-rw-r-- root/root 4654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e1z_0mx.sdf -rw-rw-r-- root/root 3841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e20_0my.sdf -rw-rw-r-- root/root 3635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e26_734.sdf -rw-rw-r-- root/root 4307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e28_9mz.sdf -rw-rw-r-- root/root 4372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e47_0n6.sdf -rw-rw-r-- root/root 3815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e4k_rrg.sdf -rw-rw-r-- root/root 3378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e4m_0nh.sdf -rw-rw-r-- root/root 3613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e4n_0nl.sdf -rw-rw-r-- root/root 2773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e5d_0nj.sdf -rw-rw-r-- root/root 2187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e5f_0n7.sdf -rw-rw-r-- root/root 2268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e5g_xi7.sdf -rw-rw-r-- root/root 2742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e5i_0n9.sdf -rw-rw-r-- root/root 3171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e5j_581.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e5w_0nt.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e6d_0nu.sdf -rw-rw-r-- root/root 3585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e6q_0nv.sdf -rw-rw-r-- root/root 5702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e73_0nr.sdf -rw-rw-r-- root/root 4229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e90_7rg.sdf -rw-rw-r-- root/root 5144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e91_0of.sdf -rw-rw-r-- root/root 5443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e92_0og.sdf -rw-rw-r-- root/root 3522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e96_0ns.sdf -rw-rw-r-- root/root 3952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e99_p8s.sdf -rw-rw-r-- root/root 2848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4e9u_rwy.sdf -rw-rw-r-- root/root 3553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ea1_3rx.sdf -rw-rw-r-- root/root 3553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ea2_rwz.sdf -rw-rw-r-- root/root 1827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ea2_srt.sdf -rw-rw-r-- root/root 4461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ea3_0nn.sdf -rw-rw-r-- root/root 3027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ead_0np.sdf -rw-rw-r-- root/root 5061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eaw_0nq.sdf -rw-rw-r-- root/root 2419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eb3_0o3.sdf -rw-rw-r-- root/root 11025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eb9_0o6.sdf -rw-rw-r-- root/root 4390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ebc_0oh.sdf -rw-rw-r-- root/root 4390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ebd_0oj.sdf -rw-rw-r-- root/root 3539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ebv_0o7.sdf -rw-rw-r-- root/root 3755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ebw_0pf.sdf -rw-rw-r-- root/root 4044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ec0_7pq.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4edy_9pq.sdf -rw-rw-r-- root/root 3927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4edz_0o5.sdf -rw-rw-r-- root/root 3796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ee0_0o4.sdf -rw-rw-r-- root/root 2566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eeq_0ox.sdf -rw-rw-r-- root/root 5548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eev_l1x.sdf -rw-rw-r-- root/root 2306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ef6_i2e.sdf -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4efb_0ow.sdf -rw-rw-r-- root/root 3470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4efe_0ov.sdf -rw-rw-r-- root/root 1959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4efk_0oc.sdf -rw-rw-r-- root/root 4080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4efs_e37.sdf -rw-rw-r-- root/root 4083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4efu_efu.sdf -rw-rw-r-- root/root 3730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eh9_0oq.sdf -rw-rw-r-- root/root 3999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ehe_ri8.sdf -rw-rw-r-- root/root 4095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ehg_ri9.sdf -rw-rw-r-- root/root 6183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ehr_0q5.sdf -rw-rw-r-- root/root 2911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ehz_jak.sdf -rw-rw-r-- root/root 3036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ei4_0q2.sdf -rw-rw-r-- root/root 3216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ein_noh.sdf -rw-rw-r-- root/root 3103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eix_nim.sdf -rw-rw-r-- root/root 2867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eiy_ola.sdf -rw-rw-r-- root/root 4437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ej4_ej4.sdf -rw-rw-r-- root/root 2425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ejh_0qa.sdf -rw-rw-r-- root/root 5705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ejn_0r4.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ek1_cam.sdf -rw-rw-r-- root/root 3180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ek9_ep4.sdf -rw-rw-r-- root/root 5064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ekg_0qj.sdf -rw-rw-r-- root/root 5365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eki_0qk.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ekl_0rf.sdf -rw-rw-r-- root/root 5186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4elt_0r5.sdf -rw-rw-r-- root/root 5192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4elu_0r6.sdf -rw-rw-r-- root/root 5122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4elv_0r7.sdf -rw-rw-r-- root/root 3034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4em7_0ra.sdf -rw-rw-r-- root/root 4625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4emr_mgp.sdf -rw-rw-r-- root/root 4492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4emv_0r9.sdf -rw-rw-r-- root/root 2216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4en4_gt0.sdf -rw-rw-r-- root/root 3260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4enh_fvx.sdf -rw-rw-r-- root/root 3695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4enx_z20.sdf -rw-rw-r-- root/root 3557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eny_j19.sdf -rw-rw-r-- root/root 3889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eo6_0s2.sdf -rw-rw-r-- root/root 3900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eo8_0s3.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eox_0s5.sdf -rw-rw-r-- root/root 4687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ep9_0rd.sdf -rw-rw-r-- root/root 4819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eph_0rk.sdf -rw-rw-r-- root/root 3436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4epl_jai.sdf -rw-rw-r-- root/root 2329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ept_0qw.sdf -rw-rw-r-- root/root 2933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4epv_0qx.sdf -rw-rw-r-- root/root 2816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4epw_0qv.sdf -rw-rw-r-- root/root 2792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4epx_0qr.sdf -rw-rw-r-- root/root 3917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4epy_0qy.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eq1_pe5.sdf -rw-rw-r-- root/root 5303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eqc_xr1.sdf -rw-rw-r-- root/root 4461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eqe_kaa.sdf -rw-rw-r-- root/root 3985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eqg_a5a.sdf -rw-rw-r-- root/root 5054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eqh_wsa.sdf -rw-rw-r-- root/root 5608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4equ_g6i.sdf -rw-rw-r-- root/root 4959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eqz_aw0.sdf -rw-rw-r-- root/root 5294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4er0_aw1.sdf -rw-rw-r-- root/root 5516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4er6_aw2.sdf -rw-rw-r-- root/root 5151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4er7_aw3.sdf -rw-rw-r-- root/root 4878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ere_0r2.sdf -rw-rw-r-- root/root 4544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4erf_0r3.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4erk_olo.sdf -rw-rw-r-- root/root 3198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4esi_0rb.sdf -rw-rw-r-- root/root 4731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eut_bx7.sdf -rw-rw-r-- root/root 4601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ew2_dxy.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ew3_dxz.sdf -rw-rw-r-- root/root 4710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ewh_t77.sdf -rw-rw-r-- root/root 3432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ewn_0vr.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ewq_mwl.sdf -rw-rw-r-- root/root 5497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ews_0rp.sdf -rw-rw-r-- root/root 1783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ews_pge.sdf -rw-rw-r-- root/root 3980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ey2_0rm.sdf -rw-rw-r-- root/root 4259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eyb_0wo.sdf -rw-rw-r-- root/root 3616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eyf_pnk.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eyj_n61.sdf -rw-rw-r-- root/root 4039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eyl_0rv.sdf -rw-rw-r-- root/root 3925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eym_0rx.sdf -rw-rw-r-- root/root 3989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4eyw_l0r.sdf -rw-rw-r-- root/root 4945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ez5_0rs.sdf -rw-rw-r-- root/root 5056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ezj_0sc.sdf -rw-rw-r-- root/root 4929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ezk_0sd.sdf -rw-rw-r-- root/root 4720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ezl_0se.sdf -rw-rw-r-- root/root 2789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f08_1rs.sdf -rw-rw-r-- root/root 3043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f0e_0ru.sdf -rw-rw-r-- root/root 3459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f0x_0or.sdf -rw-rw-r-- root/root 2696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f1l_0ry.sdf -rw-rw-r-- root/root 2696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f1q_0rz.sdf -rw-rw-r-- root/root 4639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f1s_f1s.sdf -rw-rw-r-- root/root 5142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f2a_0sf.sdf -rw-rw-r-- root/root 6181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f2a_2ob.sdf -rw-rw-r-- root/root 1795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f2d_rb0.sdf -rw-rw-r-- root/root 3779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f2p_2el.sdf -rw-rw-r-- root/root 6610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f45_dn4.sdf -rw-rw-r-- root/root 5584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f46_dvn.sdf -rw-rw-r-- root/root 4461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f4b_l39.sdf -rw-rw-r-- root/root 4200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f4d_chd.sdf -rw-rw-r-- root/root 4071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f4p_0sb.sdf -rw-rw-r-- root/root 6218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f5y_c2e.sdf -rw-rw-r-- root/root 3431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f63_0s7.sdf -rw-rw-r-- root/root 3807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f64_0s8.sdf -rw-rw-r-- root/root 4154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f65_0s9.sdf -rw-rw-r-- root/root 4054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f6u_0sr.sdf -rw-rw-r-- root/root 3568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f6v_zym.sdf -rw-rw-r-- root/root 6195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f6w_0ss.sdf -rw-rw-r-- root/root 3598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f6x_zyl.sdf -rw-rw-r-- root/root 3943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f70_0st.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f7j_0su.sdf -rw-rw-r-- root/root 4287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f7l_0so.sdf -rw-rw-r-- root/root 3698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f7n_0sv.sdf -rw-rw-r-- root/root 2863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f7s_0sw.sdf -rw-rw-r-- root/root 5967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f7v_j1d.sdf -rw-rw-r-- root/root 3075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f7w_pn4.sdf -rw-rw-r-- root/root 2309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f8b_gd1.sdf -rw-rw-r-- root/root 2599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f8h_rke.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f8z_bl2.sdf -rw-rw-r-- root/root 1925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f92_san.sdf -rw-rw-r-- root/root 2617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f9b_0sy.sdf -rw-rw-r-- root/root 3124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f9c_0sx.sdf -rw-rw-r-- root/root 5326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4f9m_fcm.sdf -rw-rw-r-- root/root 3870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fa2_sb0.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fa3_0sl.sdf -rw-rw-r-- root/root 3433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fa6_0ta.sdf -rw-rw-r-- root/root 3917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fad_0tb.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fal_0t0.sdf -rw-rw-r-- root/root 3255 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fam_0sz.sdf -rw-rw-r-- root/root 8553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fap_ard.sdf -rw-rw-r-- root/root 5456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fc0_0t2.sdf -rw-rw-r-- root/root 4166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fcb_0t7.sdf -rw-rw-r-- root/root 3611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fcd_0t6.sdf -rw-rw-r-- root/root 2603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fce_gp1.sdf -rw-rw-r-- root/root 1483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fcf_tau.sdf -rw-rw-r-- root/root 1862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fci_gpa.sdf -rw-rw-r-- root/root 4114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fcr_0tm.sdf -rw-rw-r-- root/root 3481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fdo_0t5.sdf -rw-rw-r-- root/root 6163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fe6_0tq.sdf -rw-rw-r-- root/root 4588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4feq_0t8.sdf -rw-rw-r-- root/root 4557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fes_0t9.sdf -rw-rw-r-- root/root 4707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ff8_14s.sdf -rw-rw-r-- root/root 2280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fgc_pq0.sdf -rw-rw-r-- root/root 5437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fgg_0u5.sdf -rw-rw-r-- root/root 5330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fgh_0u6.sdf -rw-rw-r-- root/root 2902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fgj_1pq.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fgk_0tx.sdf -rw-rw-r-- root/root 2579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fh2_0rn.sdf -rw-rw-r-- root/root 4551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fhh_0u3.sdf -rw-rw-r-- root/root 4552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fhi_0s4.sdf -rw-rw-r-- root/root 3437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fhj_0tz.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fhk_0u0.sdf -rw-rw-r-- root/root 4110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fia_0u9.sdf -rw-rw-r-- root/root 2562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fic_0ul.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fim_cel.sdf -rw-rw-r-- root/root 4803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fjy_fjy.sdf -rw-rw-r-- root/root 5203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fjz_4fj.sdf -rw-rw-r-- root/root 4342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fk3_325.sdf -rw-rw-r-- root/root 3687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fk6_0uj.sdf -rw-rw-r-- root/root 3771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fkj_11k.sdf -rw-rw-r-- root/root 3882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fkr_45k.sdf -rw-rw-r-- root/root 4035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fks_46k.sdf -rw-rw-r-- root/root 3890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fkt_48k.sdf -rw-rw-r-- root/root 4510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fkv_61k.sdf -rw-rw-r-- root/root 4123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fkw_62k.sdf -rw-rw-r-- root/root 4040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fl6_uwn.sdf -rw-rw-r-- root/root 1284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fl9_tmo.sdf -rw-rw-r-- root/root 4991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4flh_14k.sdf -rw-rw-r-- root/root 3345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fli_y16.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fll_yz6.sdf -rw-rw-r-- root/root 2647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fm5_df0.sdf -rw-rw-r-- root/root 4657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fm7_0up.sdf -rw-rw-r-- root/root 4512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fm8_0uq.sdf -rw-rw-r-- root/root 1892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fnc_hmu.sdf -rw-rw-r-- root/root 4724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fnt_raf.sdf -rw-rw-r-- root/root 4411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fny_i3k.sdf -rw-rw-r-- root/root 5372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fnz_nzf.sdf -rw-rw-r-- root/root 5405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fob_0us.sdf -rw-rw-r-- root/root 4806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4foc_0uu.sdf -rw-rw-r-- root/root 5705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fod_0uv.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4for_flp.sdf -rw-rw-r-- root/root 2209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fp1_bfm.sdf -rw-rw-r-- root/root 4454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fps_0ux.sdf -rw-rw-r-- root/root 3770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fqo_az3.sdf -rw-rw-r-- root/root 4079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fr1_0v2.sdf -rw-rw-r-- root/root 4873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fr3_0v4.sdf -rw-rw-r-- root/root 4249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fr6_0v3.sdf -rw-rw-r-- root/root 2426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fr8_tng.sdf -rw-rw-r-- root/root 4036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fs3_0we.sdf -rw-rw-r-- root/root 4254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fse_0va.sdf -rw-rw-r-- root/root 4601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fsl_0vb.sdf -rw-rw-r-- root/root 3386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fsm_hk1.sdf -rw-rw-r-- root/root 4032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fsq_hk3.sdf -rw-rw-r-- root/root 3895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fsr_hkc.sdf -rw-rw-r-- root/root 3859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fst_hk4.sdf -rw-rw-r-- root/root 4002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fsu_hk5.sdf -rw-rw-r-- root/root 3614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fsy_hk7.sdf -rw-rw-r-- root/root 3854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ft0_hk9.sdf -rw-rw-r-- root/root 3634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ft5_h2k.sdf -rw-rw-r-- root/root 3752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ft7_h3k.sdf -rw-rw-r-- root/root 3592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fta_h5k.sdf -rw-rw-r-- root/root 3345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ftc_h6k.sdf -rw-rw-r-- root/root 4281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fti_h7k.sdf -rw-rw-r-- root/root 3802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ftj_h8k.sdf -rw-rw-r-- root/root 3740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ftk_h9k.sdf -rw-rw-r-- root/root 3866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ftl_h0k.sdf -rw-rw-r-- root/root 3400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ftm_1hk.sdf -rw-rw-r-- root/root 4902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ftn_2hk.sdf -rw-rw-r-- root/root 4442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fto_3hk.sdf -rw-rw-r-- root/root 4047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ftq_4hk.sdf -rw-rw-r-- root/root 4599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ftr_5hk.sdf -rw-rw-r-- root/root 3894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ftt_6hk.sdf -rw-rw-r-- root/root 3998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ftu_7hk.sdf -rw-rw-r-- root/root 3011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fu7_1up.sdf -rw-rw-r-- root/root 2185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fu8_2up.sdf -rw-rw-r-- root/root 3283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fu9_675.sdf -rw-rw-r-- root/root 3293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fub_4up.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fuc_239.sdf -rw-rw-r-- root/root 2312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fud_6up.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fue_7up.sdf -rw-rw-r-- root/root 3017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fuf_8up.sdf -rw-rw-r-- root/root 2784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fug_9up.sdf -rw-rw-r-- root/root 3338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fuh_1u2.sdf -rw-rw-r-- root/root 3499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fuj_1u9.sdf -rw-rw-r-- root/root 4303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ful_0vu.sdf -rw-rw-r-- root/root 3760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fux_e75.sdf -rw-rw-r-- root/root 3769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fuy_ek2.sdf -rw-rw-r-- root/root 3607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fv0_ek3.sdf -rw-rw-r-- root/root 4483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fv1_ek4.sdf -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fv2_ek5.sdf -rw-rw-r-- root/root 5337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fv3_ek6.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fv4_ek7.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fv5_ek9.sdf -rw-rw-r-- root/root 4420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fv6_e57.sdf -rw-rw-r-- root/root 5048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fv7_e94.sdf -rw-rw-r-- root/root 4620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fv8_e63.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fv9_e71.sdf -rw-rw-r-- root/root 3756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fw3_l52.sdf -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fw5_l58.sdf -rw-rw-r-- root/root 3637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fw6_l59.sdf -rw-rw-r-- root/root 3403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fw7_l63.sdf -rw-rw-r-- root/root 1368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fwb_3kp.sdf -rw-rw-r-- root/root 2398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fxa_aag.sdf -rw-rw-r-- root/root 5149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fxy_0w2.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fyh_tr5.sdf -rw-rw-r-- root/root 4084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fyn_0ve.sdf -rw-rw-r-- root/root 5080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fyo_0vf.sdf -rw-rw-r-- root/root 4015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fz6_0vg.sdf -rw-rw-r-- root/root 3793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fz7_0vh.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fzb_0vj.sdf -rw-rw-r-- root/root 2242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4fzj_0w1.sdf -rw-rw-r-- root/root 3611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g09_0vd.sdf -rw-rw-r-- root/root 4628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g0k_0vs.sdf -rw-rw-r-- root/root 3932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g0u_asw.sdf -rw-rw-r-- root/root 4453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g0v_mix.sdf -rw-rw-r-- root/root 4127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g0w_ake.sdf -rw-rw-r-- root/root 3399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g11_0w7.sdf -rw-rw-r-- root/root 4077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g16_0vm.sdf -rw-rw-r-- root/root 3241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g17_0vn.sdf -rw-rw-r-- root/root 4585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g1d_0vk.sdf -rw-rw-r-- root/root 3541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g1f_0wg.sdf -rw-rw-r-- root/root 4629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g1n_nzt.sdf -rw-rw-r-- root/root 4777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g1w_g1w.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g1x_tqu.sdf -rw-rw-r-- root/root 4129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g1y_0vo.sdf -rw-rw-r-- root/root 4692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g1z_0vp.sdf -rw-rw-r-- root/root 4603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g20_484.sdf -rw-rw-r-- root/root 2081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g28_0w8.sdf -rw-rw-r-- root/root 3553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g2f_c07.sdf -rw-rw-r-- root/root 2885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g2g_tdh.sdf -rw-rw-r-- root/root 4659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g2h_0vq.sdf -rw-rw-r-- root/root 4043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g2j_0wf.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g2l_0wl.sdf -rw-rw-r-- root/root 2563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g2o_tiy.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g2w_ni0.sdf -rw-rw-r-- root/root 4254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g2y_ni5.sdf -rw-rw-r-- root/root 3939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g3e_0wc.sdf -rw-rw-r-- root/root 3277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g3f_0wb.sdf -rw-rw-r-- root/root 3028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g3g_0wa.sdf -rw-rw-r-- root/root 3505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g3m_ai9.sdf -rw-rw-r-- root/root 2193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g44_tzm.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g45_mqn.sdf -rw-rw-r-- root/root 2240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g46_tty.sdf -rw-rw-r-- root/root 2065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g47_tzf.sdf -rw-rw-r-- root/root 3006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g48_pzb.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g55_vh2.sdf -rw-rw-r-- root/root 2241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g5f_0jd.sdf -rw-rw-r-- root/root 2242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g5f_15n.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g5i_db7.sdf -rw-rw-r-- root/root 4761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g5j_0wm.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g6i_rs3.sdf -rw-rw-r-- root/root 2575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g6n_ek0.sdf -rw-rw-r-- root/root 4870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g6o_e28.sdf -rw-rw-r-- root/root 1820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g6w_pbx.sdf -rw-rw-r-- root/root 5073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g74_uq5.sdf -rw-rw-r-- root/root 2385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g86_bnt.sdf -rw-rw-r-- root/root 2233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g8n_g8m.sdf -rw-rw-r-- root/root 5426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g8r_96p.sdf -rw-rw-r-- root/root 3504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g8v_0ey.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g8y_0ft.sdf -rw-rw-r-- root/root 3632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g90_0g0.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g95_oag.sdf -rw-rw-r-- root/root 4918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g9c_0wp.sdf -rw-rw-r-- root/root 2630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4g9p_cdi.sdf -rw-rw-r-- root/root 3066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ga3_4ga.sdf -rw-rw-r-- root/root 2820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gae_fob.sdf -rw-rw-r-- root/root 3285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gav_uq2.sdf -rw-rw-r-- root/root 4195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gb1_0lp.sdf -rw-rw-r-- root/root 5001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gb2_0lq.sdf -rw-rw-r-- root/root 5264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gb9_0wr.sdf -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gca_2x9.sdf -rw-rw-r-- root/root 2735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gch_dmc.sdf -rw-rw-r-- root/root 3930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gcq_0jm.sdf -rw-rw-r-- root/root 2317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gd4_0ws.sdf -rw-rw-r-- root/root 5105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gdy_0x1.sdf -rw-rw-r-- root/root 4270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ge4_0ke.sdf -rw-rw-r-- root/root 4832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ge7_0k5.sdf -rw-rw-r-- root/root 2000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ge8_0wu.sdf -rw-rw-r-- root/root 5087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ge9_0l0.sdf -rw-rw-r-- root/root 4650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4geb_0ld.sdf -rw-rw-r-- root/root 3888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gee_0wt.sdf -rw-rw-r-- root/root 3070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gev_umc.sdf -rw-rw-r-- root/root 5222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gfd_0yb.sdf -rw-rw-r-- root/root 3796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gfg_0xf.sdf -rw-rw-r-- root/root 3897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gfn_suy.sdf -rw-rw-r-- root/root 2801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gfo_0x2.sdf -rw-rw-r-- root/root 4455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gg5_0j3.sdf -rw-rw-r-- root/root 4968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gg7_0j8.sdf -rw-rw-r-- root/root 4403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gg9_0ww.sdf -rw-rw-r-- root/root 6320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gh0_eis.sdf -rw-rw-r-- root/root 3863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gh1_0wx.sdf -rw-rw-r-- root/root 4918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gh2_hk0.sdf -rw-rw-r-- root/root 3317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gh3_0ev.sdf -rw-rw-r-- root/root 4380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gh6_luo.sdf -rw-rw-r-- root/root 3189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ghi_0x3.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gi1_16y.sdf -rw-rw-r-- root/root 3952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gi4_0ex.sdf -rw-rw-r-- root/root 3325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gi7_0jr.sdf -rw-rw-r-- root/root 3406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gih_0x5.sdf -rw-rw-r-- root/root 3634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gii_0x6.sdf -rw-rw-r-- root/root 1911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gim_psu.sdf -rw-rw-r-- root/root 3120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4giu_636.sdf -rw-rw-r-- root/root 4722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4giy_0wy.sdf -rw-rw-r-- root/root 3575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gj2_0xh.sdf -rw-rw-r-- root/root 3807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gj3_0xp.sdf -rw-rw-r-- root/root 3493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gj5_0lr.sdf -rw-rw-r-- root/root 3860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gj6_0ls.sdf -rw-rw-r-- root/root 4561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gj7_0lt.sdf -rw-rw-r-- root/root 3399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gj8_0lu.sdf -rw-rw-r-- root/root 3239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gj9_0m2.sdf -rw-rw-r-- root/root 4672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gja_0m3.sdf -rw-rw-r-- root/root 3509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gjb_0me.sdf -rw-rw-r-- root/root 4812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gjc_0mj.sdf -rw-rw-r-- root/root 5501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gjd_0n0.sdf -rw-rw-r-- root/root 3732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gk3_l87.sdf -rw-rw-r-- root/root 4115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gk4_l90.sdf -rw-rw-r-- root/root 2991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gkm_683.sdf -rw-rw-r-- root/root 4612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gkt_0o1.sdf -rw-rw-r-- root/root 3834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gl5_g29.sdf -rw-rw-r-- root/root 1932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4glb_xxh.sdf -rw-rw-r-- root/root 2935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4glx_0xs.sdf -rw-rw-r-- root/root 2550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gm5_0x9.sdf -rw-rw-r-- root/root 1947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gm7_hci.sdf -rw-rw-r-- root/root 2544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gny_sds.sdf -rw-rw-r-- root/root 3422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gpj_0q1.sdf -rw-rw-r-- root/root 3100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gq0_qap.sdf -rw-rw-r-- root/root 3657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gq3_0ro.sdf -rw-rw-r-- root/root 3920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gq4_0rt.sdf -rw-rw-r-- root/root 3078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gqi_m49.sdf -rw-rw-r-- root/root 6895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gql_r47.sdf -rw-rw-r-- root/root 3147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gqs_0xv.sdf -rw-rw-r-- root/root 5992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gr0_r4b.sdf -rw-rw-r-- root/root 6066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gr3_r45.sdf -rw-rw-r-- root/root 5170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gr8_r4c.sdf -rw-rw-r-- root/root 2840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gr9_372.sdf -rw-rw-r-- root/root 3977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4grb_0xg.sdf -rw-rw-r-- root/root 2948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4grk_ktr.sdf -rw-rw-r-- root/root 2690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4grq_avl.sdf -rw-rw-r-- root/root 1360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gru_dio.sdf -rw-rw-r-- root/root 4252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gs8_mgj.sdf -rw-rw-r-- root/root 4327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gsf_mgh.sdf -rw-rw-r-- root/root 3929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gsu_dwz.sdf -rw-rw-r-- root/root 4969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gsy_0y5.sdf -rw-rw-r-- root/root 6336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gtm_7tm.sdf -rw-rw-r-- root/root 6147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gto_7to.sdf -rw-rw-r-- root/root 6474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gtq_7tq.sdf -rw-rw-r-- root/root 6114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gtr_7tr.sdf -rw-rw-r-- root/root 5934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gts_7tp.sdf -rw-rw-r-- root/root 4355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gu6_10n.sdf -rw-rw-r-- root/root 2691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gu9_4gu.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gub_0y4.sdf -rw-rw-r-- root/root 4495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gue_qct.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gui_qic.sdf -rw-rw-r-- root/root 6252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4guw_lp5.sdf -rw-rw-r-- root/root 2873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4guy_klj.sdf -rw-rw-r-- root/root 3541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gv0_8me.sdf -rw-rw-r-- root/root 4292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gv1_0xz.sdf -rw-rw-r-- root/root 3540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gv2_5me.sdf -rw-rw-r-- root/root 3526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gv4_mej.sdf -rw-rw-r-- root/root 2379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gvf_ndg.sdf -rw-rw-r-- root/root 3995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gvm_lf2.sdf -rw-rw-r-- root/root 6772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gvt_0sg.sdf -rw-rw-r-- root/root 3390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gw8_3ra.sdf -rw-rw-r-- root/root 1937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gxm_0wv.sdf -rw-rw-r-- root/root 4612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gxs_0ys.sdf -rw-rw-r-- root/root 2882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4gyz_d5m.sdf -rw-rw-r-- root/root 2844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h0z_amu.sdf -rw-rw-r-- root/root 4685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h1e_10j.sdf -rw-rw-r-- root/root 4661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h1j_0yh.sdf -rw-rw-r-- root/root 4782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h1m_0yj.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h1y_0yq.sdf -rw-rw-r-- root/root 2101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h2h_0xw.sdf -rw-rw-r-- root/root 5090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h2j_0yu.sdf -rw-rw-r-- root/root 4184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h2m_0yv.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h2o_0yw.sdf -rw-rw-r-- root/root 3860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h2t_g5a.sdf -rw-rw-r-- root/root 3656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h2v_h2v.sdf -rw-rw-r-- root/root 7882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h30_0zd.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h38_0yx.sdf -rw-rw-r-- root/root 3328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h3a_0yy.sdf -rw-rw-r-- root/root 3547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h3c_0yz.sdf -rw-rw-r-- root/root 4700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h3f_10o.sdf -rw-rw-r-- root/root 4693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h3g_10q.sdf -rw-rw-r-- root/root 4700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h3i_10v.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h3j_10w.sdf -rw-rw-r-- root/root 2686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h42_11e.sdf -rw-rw-r-- root/root 8069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h49_l29.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h4c_10d.sdf -rw-rw-r-- root/root 2447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h4d_10e.sdf -rw-rw-r-- root/root 2452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h4e_10g.sdf -rw-rw-r-- root/root 4258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h4m_494.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h4o_506.sdf -rw-rw-r-- root/root 1757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h55_bdr.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h58_10z.sdf -rw-rw-r-- root/root 2268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h5e_ipr.sdf -rw-rw-r-- root/root 1602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h5w_bet.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h6o_nee.sdf -rw-rw-r-- root/root 2299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h71_pxe.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h76_10b.sdf -rw-rw-r-- root/root 3305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h7c_10h.sdf -rw-rw-r-- root/root 3481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h80_04t.sdf -rw-rw-r-- root/root 2090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h81_wj2.sdf -rw-rw-r-- root/root 4601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h84_y38.sdf -rw-rw-r-- root/root 1725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h85_hri.sdf -rw-rw-r-- root/root 3885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h8i_11w.sdf -rw-rw-r-- root/root 4213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h96_14q.sdf -rw-rw-r-- root/root 3979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h97_53s.sdf -rw-rw-r-- root/root 1732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4h9g_14j.sdf -rw-rw-r-- root/root 3938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hai_i23.sdf -rw-rw-r-- root/root 4293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hbm_0y7.sdf -rw-rw-r-- root/root 2140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hco_imw.sdf -rw-rw-r-- root/root 3015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hcq_gn1.sdf -rw-rw-r-- root/root 5281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hct_18r.sdf -rw-rw-r-- root/root 2776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hd8_pit.sdf -rw-rw-r-- root/root 2607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hda_stl.sdf -rw-rw-r-- root/root 5108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hdc_13y.sdf -rw-rw-r-- root/root 5338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hee_14r.sdf -rw-rw-r-- root/root 4581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hej_14d.sdf -rw-rw-r-- root/root 4321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4heu_15j.sdf -rw-rw-r-- root/root 2522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hev_axm.sdf -rw-rw-r-- root/root 4464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hf4_15h.sdf -rw-rw-r-- root/root 2194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hfn_ciy.sdf -rw-rw-r-- root/root 4098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hfr_14m.sdf -rw-rw-r-- root/root 3642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hge_15v.sdf -rw-rw-r-- root/root 1574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hgf_syn.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hgl_0yo.sdf -rw-rw-r-- root/root 4026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hgs_15g.sdf -rw-rw-r-- root/root 5701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hhy_15r.sdf -rw-rw-r-- root/root 4784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hhz_15s.sdf -rw-rw-r-- root/root 3348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hib_16b.sdf -rw-rw-r-- root/root 3156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hiq_16v.sdf -rw-rw-r-- root/root 5179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hj2_lz6.sdf -rw-rw-r-- root/root 1936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hjl_15o.sdf -rw-rw-r-- root/root 4016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hjo_aq4.sdf -rw-rw-r-- root/root 3263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hju_16l.sdf -rw-rw-r-- root/root 2435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hjx_f2y.sdf -rw-rw-r-- root/root 3347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hkp_tkw.sdf -rw-rw-r-- root/root 3072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hky_fpm.sdf -rw-rw-r-- root/root 3125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hky_sfr.sdf -rw-rw-r-- root/root 3021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hl5_15w.sdf -rw-rw-r-- root/root 4841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hlc_t05.sdf -rw-rw-r-- root/root 4609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hld_16t.sdf -rw-rw-r-- root/root 3678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hle_17v.sdf -rw-rw-r-- root/root 3033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hlf_15z.sdf -rw-rw-r-- root/root 2773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hlg_20b.sdf -rw-rw-r-- root/root 2902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hlm_16s.sdf -rw-rw-r-- root/root 2893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hlw_17w.sdf -rw-rw-r-- root/root 1840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hm1_1on.sdf -rw-rw-r-- root/root 1713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hm2_16m.sdf -rw-rw-r-- root/root 1568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hm3_pyj.sdf -rw-rw-r-- root/root 1724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hm4_16n.sdf -rw-rw-r-- root/root 1672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hm6_16q.sdf -rw-rw-r-- root/root 1604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hm8_16r.sdf -rw-rw-r-- root/root 2670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hmb_pzz.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hmh_f94.sdf -rw-rw-r-- root/root 3141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hmn_16j.sdf -rw-rw-r-- root/root 3090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hmt_nnv.sdf -rw-rw-r-- root/root 2743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hmu_wub.sdf -rw-rw-r-- root/root 5099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hn2_0ej.sdf -rw-rw-r-- root/root 2630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hnc_0ut.sdf -rw-rw-r-- root/root 3653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hnf_16w.sdf -rw-rw-r-- root/root 4921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hnx_g4p.sdf -rw-rw-r-- root/root 3926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hof_18h.sdf -rw-rw-r-- root/root 4117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hpj_1d0.sdf -rw-rw-r-- root/root 2429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hpw_3ym.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hpx_bzi.sdf -rw-rw-r-- root/root 5595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hra_ep6.sdf -rw-rw-r-- root/root 3234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hsg_ktd.sdf -rw-rw-r-- root/root 1727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hsj_6pc.sdf -rw-rw-r-- root/root 1967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hsl_3ha.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ht2_v50.sdf -rw-rw-r-- root/root 4864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4htx_19f.sdf -rw-rw-r-- root/root 3016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hu1_v13.sdf -rw-rw-r-- root/root 4226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4huo_rs8.sdf -rw-rw-r-- root/root 5568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hup_19m.sdf -rw-rw-r-- root/root 6648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hur_aco.sdf -rw-rw-r-- root/root 4964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hus_vir.sdf -rw-rw-r-- root/root 4896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hv3_19l.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hv7_19j.sdf -rw-rw-r-- root/root 4201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hva_4hv.sdf -rw-rw-r-- root/root 4643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hvb_19p.sdf -rw-rw-r-- root/root 3594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hvc_hfg.sdf -rw-rw-r-- root/root 3223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hvd_933.sdf -rw-rw-r-- root/root 3241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hvg_19q.sdf -rw-rw-r-- root/root 3240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hvh_19r.sdf -rw-rw-r-- root/root 3713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hvi_19s.sdf -rw-rw-r-- root/root 3997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hvs_647.sdf -rw-rw-r-- root/root 3193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hvx_qei.sdf -rw-rw-r-- root/root 3754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hw2_19h.sdf -rw-rw-r-- root/root 3630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hw3_19g.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hw7_64m.sdf -rw-rw-r-- root/root 2671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hwk_sfy.sdf -rw-rw-r-- root/root 3970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hwo_409.sdf -rw-rw-r-- root/root 4101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hwp_x16.sdf -rw-rw-r-- root/root 4109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hws_1b3.sdf -rw-rw-r-- root/root 3741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hwt_1b2.sdf -rw-rw-r-- root/root 3161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hww_x7a.sdf -rw-rw-r-- root/root 1962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hx2_1ax.sdf -rw-rw-r-- root/root 5703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hx5_19v.sdf -rw-rw-r-- root/root 4482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hxl_1a9.sdf -rw-rw-r-- root/root 3882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hxm_1a8.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hxs_1a3.sdf -rw-rw-r-- root/root 4199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hxw_1a0.sdf -rw-rw-r-- root/root 4835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hxx_1ay.sdf -rw-rw-r-- root/root 3307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hxz_19y.sdf -rw-rw-r-- root/root 5940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hy0_1aq.sdf -rw-rw-r-- root/root 4209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hy1_19x.sdf -rw-rw-r-- root/root 5351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hy4_1bg.sdf -rw-rw-r-- root/root 5082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hyf_1ak.sdf -rw-rw-r-- root/root 4499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hyh_1am.sdf -rw-rw-r-- root/root 4088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hyi_1ao.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hym_cjc.sdf -rw-rw-r-- root/root 3808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hyp_1a1.sdf -rw-rw-r-- root/root 3393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hys_1bj.sdf -rw-rw-r-- root/root 4748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hyt_ce1.sdf -rw-rw-r-- root/root 5643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hyt_obn.sdf -rw-rw-r-- root/root 4335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hyu_1bk.sdf -rw-rw-r-- root/root 3173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hz0_1av.sdf -rw-rw-r-- root/root 2625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hzm_1bw.sdf -rw-rw-r-- root/root 4059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4hzt_0za.sdf -rw-rw-r-- root/root 9381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i03_l88.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i06_x8a.sdf -rw-rw-r-- root/root 3909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i0d_1b7.sdf -rw-rw-r-- root/root 4316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i0e_1b8.sdf -rw-rw-r-- root/root 4179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i0f_1bf.sdf -rw-rw-r-- root/root 3837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i0r_1b4.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i0s_1b5.sdf -rw-rw-r-- root/root 3691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i0t_1b6.sdf -rw-rw-r-- root/root 4420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i0z_1bb.sdf -rw-rw-r-- root/root 4635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i10_1bs.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i1c_1be.sdf -rw-rw-r-- root/root 3663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i1r_lzu.sdf -rw-rw-r-- root/root 3444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i23_1c9.sdf -rw-rw-r-- root/root 7450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i2i_ap5.sdf -rw-rw-r-- root/root 4344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i2p_g73.sdf -rw-rw-r-- root/root 4485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i2q_1bt.sdf -rw-rw-r-- root/root 7549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i32_1bv.sdf -rw-rw-r-- root/root 1939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i3p_1cw.sdf -rw-rw-r-- root/root 7717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i4b_1cv.sdf -rw-rw-r-- root/root 4639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i4e_1bq.sdf -rw-rw-r-- root/root 4119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i4f_1br.sdf -rw-rw-r-- root/root 6473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i4g_z8z.sdf -rw-rw-r-- root/root 6571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i4h_z9z.sdf -rw-rw-r-- root/root 7693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i56_1cz.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i5c_c5i.sdf -rw-rw-r-- root/root 4675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i5h_g17.sdf -rw-rw-r-- root/root 5186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i5m_r78.sdf -rw-rw-r-- root/root 3543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i5p_1d1.sdf -rw-rw-r-- root/root 4009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i60_b1r.sdf -rw-rw-r-- root/root 2926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i6b_11g.sdf -rw-rw-r-- root/root 4239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i6f_1c7.sdf -rw-rw-r-- root/root 4140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i6h_1c8.sdf -rw-rw-r-- root/root 3557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i6q_1dt.sdf -rw-rw-r-- root/root 1868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i6w_1co.sdf -rw-rw-r-- root/root 5048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i7f_nve.sdf -rw-rw-r-- root/root 3183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i85_h50.sdf -rw-rw-r-- root/root 4699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i8n_1cg.sdf -rw-rw-r-- root/root 3115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i8v_bhf.sdf -rw-rw-r-- root/root 5472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i8w_g07.sdf -rw-rw-r-- root/root 2404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i8x_6p3.sdf -rw-rw-r-- root/root 5489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i8z_g08.sdf -rw-rw-r-- root/root 1918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i91_tmh.sdf -rw-rw-r-- root/root 3655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i9d_l4d.sdf -rw-rw-r-- root/root 6710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i9h_1e4.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i9i_1dy.sdf -rw-rw-r-- root/root 3724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i9j_xp5.sdf -rw-rw-r-- root/root 3139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i9n_1e5.sdf -rw-rw-r-- root/root 4154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i9n_1e6.sdf -rw-rw-r-- root/root 3417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i9u_1e7.sdf -rw-rw-r-- root/root 4326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4i9z_5ba.sdf -rw-rw-r-- root/root 4749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ia0_5bb.sdf -rw-rw-r-- root/root 4997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ia1_biv.sdf -rw-rw-r-- root/root 3997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ia9_ia9.sdf -rw-rw-r-- root/root 5643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iaq_2gm.sdf -rw-rw-r-- root/root 5621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ib4_erm.sdf -rw-rw-r-- root/root 2453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ib9_cat.sdf -rw-rw-r-- root/root 4611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ibb_1dk.sdf -rw-rw-r-- root/root 4606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ibc_12g.sdf -rw-rw-r-- root/root 4388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ibd_1dl.sdf -rw-rw-r-- root/root 4400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ibe_11y.sdf -rw-rw-r-- root/root 4448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ibf_1d5.sdf -rw-rw-r-- root/root 4997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ibg_1d6.sdf -rw-rw-r-- root/root 5217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ibi_1d8.sdf -rw-rw-r-- root/root 5167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ibj_1d9.sdf -rw-rw-r-- root/root 4788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ibk_1de.sdf -rw-rw-r-- root/root 3625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ibm_ir1.sdf -rw-rw-r-- root/root 2059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ic0_gde.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ict_1ed.sdf -rw-rw-r-- root/root 3989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4id7_1g0.sdf -rw-rw-r-- root/root 3019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4idt_t28.sdf -rw-rw-r-- root/root 3852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4idv_13v.sdf -rw-rw-r-- root/root 2685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ie1_1ec.sdf -rw-rw-r-- root/root 3296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ie3_1ee.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ie6_un9.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ie7_rhn.sdf -rw-rw-r-- root/root 2559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ie9_pzx.sdf -rw-rw-r-- root/root 7654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ieh_1e9.sdf -rw-rw-r-- root/root 1900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4if7_hcm.sdf -rw-rw-r-- root/root 4616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ifh_1ef.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ifn_12o.sdf -rw-rw-r-- root/root 3890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ig0_1fg.sdf -rw-rw-r-- root/root 1532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ig5_mmz.sdf -rw-rw-r-- root/root 4277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4igh_1ea.sdf -rw-rw-r-- root/root 2690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4igr_3za.sdf -rw-rw-r-- root/root 3217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4igs_64i.sdf -rw-rw-r-- root/root 2685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ih5_12r.sdf -rw-rw-r-- root/root 3161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ih6_1ep.sdf -rw-rw-r-- root/root 2628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ih7_1er.sdf -rw-rw-r-- root/root 4977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ihf_1f7.sdf -rw-rw-r-- root/root 2499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ihg_ftt.sdf -rw-rw-r-- root/root 6063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ihl_1f5.sdf -rw-rw-r-- root/root 1951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iic_ifm.sdf -rw-rw-r-- root/root 3421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iih_tcb.sdf -rw-rw-r-- root/root 4596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iix_1eg.sdf -rw-rw-r-- root/root 4475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iiy_1ei.sdf -rw-rw-r-- root/root 3064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ij9_ptv.sdf -rw-rw-r-- root/root 3809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ijh_1ej.sdf -rw-rw-r-- root/root 3780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ijl_1ek.sdf -rw-rw-r-- root/root 4018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ijp_1eh.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ijq_sv2.sdf -rw-rw-r-- root/root 3687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iju_1eo.sdf -rw-rw-r-- root/root 3889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ijv_1en.sdf -rw-rw-r-- root/root 3338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ijw_1eq.sdf -rw-rw-r-- root/root 3515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ikf_m76.sdf -rw-rw-r-- root/root 4089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ikp_4ik.sdf -rw-rw-r-- root/root 3383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ikr_pvp.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iks_tfd.sdf -rw-rw-r-- root/root 4002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ikt_tfv.sdf -rw-rw-r-- root/root 3750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iku_shx.sdf -rw-rw-r-- root/root 3543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ilx_1ez.sdf -rw-rw-r-- root/root 2194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4imb_1es.sdf -rw-rw-r-- root/root 3100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4imf_si3.sdf -rw-rw-r-- root/root 3337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4img_ngf.sdf -rw-rw-r-- root/root 3710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4imo_pwz.sdf -rw-rw-r-- root/root 4189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ims_12s.sdf -rw-rw-r-- root/root 3913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4imx_1ev.sdf -rw-rw-r-- root/root 4570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4in4_4id.sdf -rw-rw-r-- root/root 4239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4inb_1f6.sdf -rw-rw-r-- root/root 6461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ipf_1f0.sdf -rw-rw-r-- root/root 3612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iph_1fj.sdf -rw-rw-r-- root/root 3375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ips_1g4.sdf -rw-rw-r-- root/root 3660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ipw_1g7.sdf -rw-rw-r-- root/root 3420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iq6_iq6.sdf -rw-rw-r-- root/root 2725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iq7_1g9.sdf -rw-rw-r-- root/root 3787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iq9_1gb.sdf -rw-rw-r-- root/root 1618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iqi_cyt.sdf -rw-rw-r-- root/root 4576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iqk_iqk.sdf -rw-rw-r-- root/root 3515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iqt_1fo.sdf -rw-rw-r-- root/root 3534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iqw_1fq.sdf -rw-rw-r-- root/root 2889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ir3_1fk.sdf -rw-rw-r-- root/root 3477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ir4_ir4.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ir5_ir5.sdf -rw-rw-r-- root/root 4031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ir6_ir6.sdf -rw-rw-r-- root/root 6659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ire_pc1.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4is0_1r4.sdf -rw-rw-r-- root/root 3297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4is9_ltf.sdf -rw-rw-r-- root/root 4199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4isa_gvr.sdf -rw-rw-r-- root/root 4020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ise_1fw.sdf -rw-rw-r-- root/root 4166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4isf_1fx.sdf -rw-rw-r-- root/root 3906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4isg_1fy.sdf -rw-rw-r-- root/root 5262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ish_1ge.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4isi_1gg.sdf -rw-rw-r-- root/root 6317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4isk_1jy.sdf -rw-rw-r-- root/root 3260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4isu_ikm.sdf -rw-rw-r-- root/root 5297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ite_tey.sdf -rw-rw-r-- root/root 5297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4itf_tfy.sdf -rw-rw-r-- root/root 2977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ith_rcm.sdf -rw-rw-r-- root/root 4418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iti_1hw.sdf -rw-rw-r-- root/root 3188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4itj_1hx.sdf -rw-rw-r-- root/root 3307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4itx_in5.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iu6_fz1.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iu7_1gm.sdf -rw-rw-r-- root/root 2899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iue_aj4.sdf -rw-rw-r-- root/root 3589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iui_1gq.sdf -rw-rw-r-- root/root 3611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iv2_1gr.sdf -rw-rw-r-- root/root 3611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iv4_1gs.sdf -rw-rw-r-- root/root 3395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iva_1j5.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ivc_1j6.sdf -rw-rw-r-- root/root 3613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ivd_15t.sdf -rw-rw-r-- root/root 2488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ivp_i51.sdf -rw-rw-r-- root/root 2704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ivq_i43.sdf -rw-rw-r-- root/root 2668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ivr_n50.sdf -rw-rw-r-- root/root 3940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ivw_1gj.sdf -rw-rw-r-- root/root 3603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ivy_1gt.sdf -rw-rw-r-- root/root 2045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iw1_fud.sdf -rw-rw-r-- root/root 3603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iw6_1gu.sdf -rw-rw-r-- root/root 5321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iwd_1jc.sdf -rw-rw-r-- root/root 4625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iwo_1h4.sdf -rw-rw-r-- root/root 4740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iwq_1fv.sdf -rw-rw-r-- root/root 4613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iwv_1j9.sdf -rw-rw-r-- root/root 4611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ixc_1jd.sdf -rw-rw-r-- root/root 4397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ixd_1hv.sdf -rw-rw-r-- root/root 3027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ixg_ixg.sdf -rw-rw-r-- root/root 4303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ixh_q21.sdf -rw-rw-r-- root/root 4359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ixu_38i.sdf -rw-rw-r-- root/root 3916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ixv_xa1.sdf -rw-rw-r-- root/root 2202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iyg_1hu.sdf -rw-rw-r-- root/root 2921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4iz0_2bi.sdf -rw-rw-r-- root/root 4590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4izy_1j2.sdf -rw-rw-r-- root/root 5579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j03_fvs.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j0p_1h8.sdf -rw-rw-r-- root/root 4078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j0z_1h5.sdf -rw-rw-r-- root/root 4052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j17_1hq.sdf -rw-rw-r-- root/root 4172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j1c_1ho.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j1e_1hm.sdf -rw-rw-r-- root/root 3822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j1p_1k0.sdf -rw-rw-r-- root/root 3211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j1r_i5r.sdf -rw-rw-r-- root/root 3030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j21_aj6.sdf -rw-rw-r-- root/root 4222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j22_aj7.sdf -rw-rw-r-- root/root 6735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j2t_1ht.sdf -rw-rw-r-- root/root 2615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j36_1hr.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j3d_1js.sdf -rw-rw-r-- root/root 5419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j3e_nut.sdf -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j3j_d3c.sdf -rw-rw-r-- root/root 3750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j3l_aj5.sdf -rw-rw-r-- root/root 3274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j3m_aj8.sdf -rw-rw-r-- root/root 4958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j51_n75.sdf -rw-rw-r-- root/root 5501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j52_1j3.sdf -rw-rw-r-- root/root 5478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j53_1j4.sdf -rw-rw-r-- root/root 3024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j58_53z.sdf -rw-rw-r-- root/root 4227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j59_671.sdf -rw-rw-r-- root/root 4215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j5a_67z.sdf -rw-rw-r-- root/root 4005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j5b_6b4.sdf -rw-rw-r-- root/root 4508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j5c_7i6.sdf -rw-rw-r-- root/root 3886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j5d_728.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j5e_7b7.sdf -rw-rw-r-- root/root 2820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j5h_1k4.sdf -rw-rw-r-- root/root 4784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j6i_1jv.sdf -rw-rw-r-- root/root 2141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j71_1jx.sdf -rw-rw-r-- root/root 3069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j74_i18.sdf -rw-rw-r-- root/root 4671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j7d_i31.sdf -rw-rw-r-- root/root 5062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j7e_i29.sdf -rw-rw-r-- root/root 6947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j7n_gtg.sdf -rw-rw-r-- root/root 4203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j7t_1jo.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j7u_ytz.sdf -rw-rw-r-- root/root 4402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j7y_1jp.sdf -rw-rw-r-- root/root 5165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j8m_cj5.sdf -rw-rw-r-- root/root 2349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4j9z_1kp.sdf -rw-rw-r-- root/root 3111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ja1_ngh.sdf -rw-rw-r-- root/root 4440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ja8_1k9.sdf -rw-rw-r-- root/root 1713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jaa_dle.sdf -rw-rw-r-- root/root 4305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jai_xu2.sdf -rw-rw-r-- root/root 5347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jbo_wph.sdf -rw-rw-r-- root/root 4972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jbs_p52.sdf -rw-rw-r-- root/root 2602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jbx_sk7.sdf -rw-rw-r-- root/root 2621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jby_fsk.sdf -rw-rw-r-- root/root 2885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jc5_1k5.sdf -rw-rw-r-- root/root 4629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jch_1kg.sdf -rw-rw-r-- root/root 3478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jck_1ll.sdf -rw-rw-r-- root/root 3197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jd4_jdm.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jd6_toy.sdf -rw-rw-r-- root/root 2988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jda_a9s.sdf -rw-rw-r-- root/root 3659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jdb_jdb.sdf -rw-rw-r-- root/root 6131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jdd_fsc.sdf -rw-rw-r-- root/root 4519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jds_1l4.sdf -rw-rw-r-- root/root 3569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jew_p00.sdf -rw-rw-r-- root/root 5092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jfi_1kt.sdf -rw-rw-r-- root/root 4955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jfj_1ku.sdf -rw-rw-r-- root/root 5116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jfk_jfk.sdf -rw-rw-r-- root/root 5000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jfl_1ky.sdf -rw-rw-r-- root/root 4818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jfm_1kz.sdf -rw-rw-r-- root/root 2003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jgc_1rt.sdf -rw-rw-r-- root/root 3089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jgd_4jg.sdf -rw-rw-r-- root/root 3914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jh0_1md.sdf -rw-rw-r-- root/root 1671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jh6_fcn.sdf -rw-rw-r-- root/root 2509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jh7_1km.sdf -rw-rw-r-- root/root 5750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jhq_b6f.sdf -rw-rw-r-- root/root 4260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jhz_1kv.sdf -rw-rw-r-- root/root 4897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ji9_1m3.sdf -rw-rw-r-- root/root 4329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jia_1k3.sdf -rw-rw-r-- root/root 4392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jib_1l6.sdf -rw-rw-r-- root/root 2385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jih_epr.sdf -rw-rw-r-- root/root 3798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jik_1ko.sdf -rw-rw-r-- root/root 3009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jin_1l7.sdf -rw-rw-r-- root/root 3472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jit_3zf.sdf -rw-rw-r-- root/root 1455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jki_xpo.sdf -rw-rw-r-- root/root 2798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jki_zd9.sdf -rw-rw-r-- root/root 5020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jkv_1ks.sdf -rw-rw-r-- root/root 2316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jkw_ipe.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jl4_axy.sdf -rw-rw-r-- root/root 3458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jlc_su6.sdf -rw-rw-r-- root/root 4763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jlg_1l8.sdf -rw-rw-r-- root/root 3890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jlj_1nm.sdf -rw-rw-r-- root/root 4021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jlk_1no.sdf -rw-rw-r-- root/root 4129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jlm_1nn.sdf -rw-rw-r-- root/root 4241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jln_18v.sdf -rw-rw-r-- root/root 3617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jls_3ze.sdf -rw-rw-r-- root/root 2362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jmb_1lw.sdf -rw-rw-r-- root/root 3122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jmo_jaf.sdf -rw-rw-r-- root/root 1845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jms_1lx.sdf -rw-rw-r-- root/root 1981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jmt_1lz.sdf -rw-rw-r-- root/root 5342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jmu_1ml.sdf -rw-rw-r-- root/root 1843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jmv_1ly.sdf -rw-rw-r-- root/root 1972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jmz_1m2.sdf -rw-rw-r-- root/root 1981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jn0_1mj.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jnc_1lf.sdf -rw-rw-r-- root/root 1729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jni_pzh.sdf -rw-rw-r-- root/root 1372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jnk_lac.sdf -rw-rw-r-- root/root 4608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jnk_zhk.sdf -rw-rw-r-- root/root 3812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jnm_1lj.sdf -rw-rw-r-- root/root 4139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4joa_3dk.sdf -rw-rw-r-- root/root 4936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jp4_az4.sdf -rw-rw-r-- root/root 3809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jp9_1m5.sdf -rw-rw-r-- root/root 4739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jpa_az6.sdf -rw-rw-r-- root/root 3933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jpc_1m6.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jpg_1ox.sdf -rw-rw-r-- root/root 4279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jps_1lt.sdf -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jq4_imn.sdf -rw-rw-r-- root/root 4300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jq7_kjq.sdf -rw-rw-r-- root/root 5287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jq8_kj8.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jqa_id8.sdf -rw-rw-r-- root/root 1935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jqj_1lm.sdf -rw-rw-r-- root/root 1868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jqk_1ln.sdf -rw-rw-r-- root/root 4801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jr3_kjr.sdf -rw-rw-r-- root/root 3712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jr5_1ls.sdf -rw-rw-r-- root/root 4882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jrg_i09.sdf -rw-rw-r-- root/root 5394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jrv_kjv.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4js3_js3.sdf -rw-rw-r-- root/root 4320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4js8_1pf.sdf -rw-rw-r-- root/root 5156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jsc_1oy.sdf -rw-rw-r-- root/root 3340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jsf_qj4.sdf -rw-rw-r-- root/root 3139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jsg_q10.sdf -rw-rw-r-- root/root 3857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jsi_q05.sdf -rw-rw-r-- root/root 3125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jsk_qj2.sdf -rw-rw-r-- root/root 3880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jsm_qj7.sdf -rw-rw-r-- root/root 4593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jsr_1nq.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jsx_17g.sdf -rw-rw-r-- root/root 4071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jt3_1ph.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jt5_p2x.sdf -rw-rw-r-- root/root 3881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jt8_1nr.sdf -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jt9_1ns.sdf -rw-rw-r-- root/root 2441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jtr_izp.sdf -rw-rw-r-- root/root 2912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jts_jts.sdf -rw-rw-r-- root/root 3030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jtt_jtt.sdf -rw-rw-r-- root/root 3622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jtu_jtu.sdf -rw-rw-r-- root/root 3729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jub_tpp.sdf -rw-rw-r-- root/root 3205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jv6_18f.sdf -rw-rw-r-- root/root 4081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jv7_1mn.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jv8_1m1.sdf -rw-rw-r-- root/root 4083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jv9_1mo.sdf -rw-rw-r-- root/root 5692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jvb_1m0.sdf -rw-rw-r-- root/root 4948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jve_1mq.sdf -rw-rw-r-- root/root 6308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jvf_17x.sdf -rw-rw-r-- root/root 3778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jvj_1mv.sdf -rw-rw-r-- root/root 3110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jvm_xdi.sdf -rw-rw-r-- root/root 2750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jvn_yug.sdf -rw-rw-r-- root/root 4859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jvr_1mt.sdf -rw-rw-r-- root/root 4292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jwr_1my.sdf -rw-rw-r-- root/root 2354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jwx_1n4.sdf -rw-rw-r-- root/root 4261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jx7_1n6.sdf -rw-rw-r-- root/root 4156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jx8_ae6.sdf -rw-rw-r-- root/root 4923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jxf_631.sdf -rw-rw-r-- root/root 2869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jxh_hrc.sdf -rw-rw-r-- root/root 3234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jxs_18u.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jxv_1mu.sdf -rw-rw-r-- root/root 3477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jxw_1mw.sdf -rw-rw-r-- root/root 4831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jy0_1o9.sdf -rw-rw-r-- root/root 4188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jyg_1ny.sdf -rw-rw-r-- root/root 3915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jyh_jyh.sdf -rw-rw-r-- root/root 4211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jyi_jyi.sdf -rw-rw-r-- root/root 1960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jym_kkn.sdf -rw-rw-r-- root/root 5321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jyt_n4a.sdf -rw-rw-r-- root/root 5123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jyu_1ok.sdf -rw-rw-r-- root/root 5461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jyv_1oj.sdf -rw-rw-r-- root/root 6335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jyw_t57.sdf -rw-rw-r-- root/root 5200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jz0_t01.sdf -rw-rw-r-- root/root 4981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jz1_f4d.sdf -rw-rw-r-- root/root 5280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jzd_1nj.sdf -rw-rw-r-- root/root 5515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jze_1nk.sdf -rw-rw-r-- root/root 5267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jzf_1nl.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jzi_n4c.sdf -rw-rw-r-- root/root 4203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4jzr_4jr.sdf -rw-rw-r-- root/root 3764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k0y_1oa.sdf -rw-rw-r-- root/root 3496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k11_0j9.sdf -rw-rw-r-- root/root 4096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k18_1ob.sdf -rw-rw-r-- root/root 5963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k19_1od.sdf -rw-rw-r-- root/root 5174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k1b_1oc.sdf -rw-rw-r-- root/root 3024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k26_sff.sdf -rw-rw-r-- root/root 2687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k2f_a08.sdf -rw-rw-r-- root/root 3019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k2g_1oq.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k2m_o1g.sdf -rw-rw-r-- root/root 2875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k3k_sfk.sdf -rw-rw-r-- root/root 5513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k42_nwm.sdf -rw-rw-r-- root/root 5268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k43_1po.sdf -rw-rw-r-- root/root 5700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k47_wmp.sdf -rw-rw-r-- root/root 4261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k4e_k4e.sdf -rw-rw-r-- root/root 4551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k4f_k4f.sdf -rw-rw-r-- root/root 4117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k4g_1s0.sdf -rw-rw-r-- root/root 3323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k4j_1o8.sdf -rw-rw-r-- root/root 2275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k4q_06b.sdf -rw-rw-r-- root/root 2455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k55_h6p.sdf -rw-rw-r-- root/root 3676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k5f_q14.sdf -rw-rw-r-- root/root 3669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k5g_q13.sdf -rw-rw-r-- root/root 3545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k5i_1q7.sdf -rw-rw-r-- root/root 2330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k5l_19n.sdf -rw-rw-r-- root/root 2221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k5m_1ov.sdf -rw-rw-r-- root/root 2580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k5n_1ou.sdf -rw-rw-r-- root/root 2699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k5o_1ot.sdf -rw-rw-r-- root/root 2467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k5p_1os.sdf -rw-rw-r-- root/root 3457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k5y_1q5.sdf -rw-rw-r-- root/root 1985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k5z_1p7.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k60_1p8.sdf -rw-rw-r-- root/root 4289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k69_1p9.sdf -rw-rw-r-- root/root 3728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k6i_9ra.sdf -rw-rw-r-- root/root 3626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k6z_1q3.sdf -rw-rw-r-- root/root 2807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k77_1q4.sdf -rw-rw-r-- root/root 1714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k7n_mct.sdf -rw-rw-r-- root/root 2084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k7o_ekz.sdf -rw-rw-r-- root/root 3563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k7q_zld.sdf -rw-rw-r-- root/root 2710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k7r_3pk.sdf -rw-rw-r-- root/root 2009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k7v_07v.sdf -rw-rw-r-- root/root 2098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k8a_k8a.sdf -rw-rw-r-- root/root 6644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k8b_1rr.sdf -rw-rw-r-- root/root 2711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k9g_1q2.sdf -rw-rw-r-- root/root 4838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k9t_1rd.sdf -rw-rw-r-- root/root 5101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k9u_5aw.sdf -rw-rw-r-- root/root 5200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k9v_6aw.sdf -rw-rw-r-- root/root 6026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k9w_7aw.sdf -rw-rw-r-- root/root 4797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k9x_8aw.sdf -rw-rw-r-- root/root 4870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4k9y_k9y.sdf -rw-rw-r-- root/root 1776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kab_4ka.sdf -rw-rw-r-- root/root 4386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kao_kao.sdf -rw-rw-r-- root/root 5500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kb7_690.sdf -rw-rw-r-- root/root 3277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kb8_1qn.sdf -rw-rw-r-- root/root 2988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kb8_1qo.sdf -rw-rw-r-- root/root 5891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kb9_g79.sdf -rw-rw-r-- root/root 3541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kba_1qm.sdf -rw-rw-r-- root/root 3027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kbc_1qj.sdf -rw-rw-r-- root/root 5497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kbi_1c0.sdf -rw-rw-r-- root/root 3643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kbk_1qg.sdf -rw-rw-r-- root/root 4006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kbz_1qa.sdf -rw-rw-r-- root/root 4123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kc1_ws1.sdf -rw-rw-r-- root/root 4121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kc2_ws2.sdf -rw-rw-r-- root/root 5290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kc4_ws3.sdf -rw-rw-r-- root/root 4708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kcg_1qc.sdf -rw-rw-r-- root/root 3958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kch_h38.sdf -rw-rw-r-- root/root 4212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kci_1qe.sdf -rw-rw-r-- root/root 4442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kcj_h36.sdf -rw-rw-r-- root/root 4479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kck_h45.sdf -rw-rw-r-- root/root 4712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kcm_1qf.sdf -rw-rw-r-- root/root 3629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kcn_5h3.sdf -rw-rw-r-- root/root 4479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kcp_h44.sdf -rw-rw-r-- root/root 3863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kcs_5h4.sdf -rw-rw-r-- root/root 4216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kcx_1qk.sdf -rw-rw-r-- root/root 3838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kd7_9dr.sdf -rw-rw-r-- root/root 2824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ke6_1qw.sdf -rw-rw-r-- root/root 4436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4keb_1qz.sdf -rw-rw-r-- root/root 2126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4keq_5pn.sdf -rw-rw-r-- root/root 2808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kf1_ht5.sdf -rw-rw-r-- root/root 4308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kfj_1r0.sdf -rw-rw-r-- root/root 3978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kfn_1qr.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kfo_1qs.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kfp_1r7.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kgj_idf.sdf -rw-rw-r-- root/root 2205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kgl_idj.sdf -rw-rw-r-- root/root 5329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4khm_1pv.sdf -rw-rw-r-- root/root 3002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ki7_1r2.sdf -rw-rw-r-- root/root 2192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kib_56d.sdf -rw-rw-r-- root/root 2034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kic_ppy.sdf -rw-rw-r-- root/root 3718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kii_rhl.sdf -rw-rw-r-- root/root 3121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kij_kij.sdf -rw-rw-r-- root/root 2886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kil_1r5.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kin_1m8.sdf -rw-rw-r-- root/root 4665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kio_g5k.sdf -rw-rw-r-- root/root 4662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kio_g6k.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kip_1r9.sdf -rw-rw-r-- root/root 4201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kiq_1ra.sdf -rw-rw-r-- root/root 3360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kiu_kiu.sdf -rw-rw-r-- root/root 3373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kiw_kiw.sdf -rw-rw-r-- root/root 5556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kju_1rh.sdf -rw-rw-r-- root/root 5483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kjv_1rk.sdf -rw-rw-r-- root/root 5241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kkh_1rq.sdf -rw-rw-r-- root/root 4424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kko_1re.sdf -rw-rw-r-- root/root 4108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kkx_aq3.sdf -rw-rw-r-- root/root 3187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kkx_f6f.sdf -rw-rw-r-- root/root 1677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kkz_1rf.sdf -rw-rw-r-- root/root 2845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4klb_1rv.sdf -rw-rw-r-- root/root 7733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kmn_436.sdf -rw-rw-r-- root/root 7669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kmp_gt6.sdf -rw-rw-r-- root/root 4390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kn2_lya.sdf -rw-rw-r-- root/root 3624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kn6_1rp.sdf -rw-rw-r-- root/root 4636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4knb_1ru.sdf -rw-rw-r-- root/root 3390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4knm_e1e.sdf -rw-rw-r-- root/root 4855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4knr_1s8.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4knx_1s9.sdf -rw-rw-r-- root/root 3374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ko0_jlj.sdf -rw-rw-r-- root/root 4386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4koe_tr6.sdf -rw-rw-r-- root/root 3876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kp0_kpk.sdf -rw-rw-r-- root/root 3140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kp5_e1f.sdf -rw-rw-r-- root/root 3178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kp6_1s1.sdf -rw-rw-r-- root/root 2852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kp7_1uq.sdf -rw-rw-r-- root/root 3002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kp8_e1g.sdf -rw-rw-r-- root/root 3902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kpe_af5.sdf -rw-rw-r-- root/root 3915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kpf_1uv.sdf -rw-rw-r-- root/root 3955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kpx_1se.sdf -rw-rw-r-- root/root 2688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kpz_1sf.sdf -rw-rw-r-- root/root 2645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kq2_1s3.sdf -rw-rw-r-- root/root 1956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kqg_dmd.sdf -rw-rw-r-- root/root 4684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kql_1sg.sdf -rw-rw-r-- root/root 5214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kqq_vpp.sdf -rw-rw-r-- root/root 4612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kqv_doo.sdf -rw-rw-r-- root/root 5136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kr8_dm1.sdf -rw-rw-r-- root/root 3544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kra_cpf.sdf -rw-rw-r-- root/root 3188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4krs_1sx.sdf -rw-rw-r-- root/root 3088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ks1_2h8.sdf -rw-rw-r-- root/root 3446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ks2_1sj.sdf -rw-rw-r-- root/root 4050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ks3_1sl.sdf -rw-rw-r-- root/root 4071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ks4_1sn.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ks5_1so.sdf -rw-rw-r-- root/root 4740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ksg_920.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ksh_htt.sdf -rw-rw-r-- root/root 5294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ksp_1su.sdf -rw-rw-r-- root/root 5294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ksq_1sw.sdf -rw-rw-r-- root/root 6796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ktc_1x3.sdf -rw-rw-r-- root/root 3018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ktf_1tm.sdf -rw-rw-r-- root/root 2196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ktj_ktj.sdf -rw-rw-r-- root/root 3155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ktk_ktk.sdf -rw-rw-r-- root/root 3835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ktl_1cq.sdf -rw-rw-r-- root/root 4282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ktn_mju.sdf -rw-rw-r-- root/root 3872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kup_1tz.sdf -rw-rw-r-- root/root 3472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kuv_mb6.sdf -rw-rw-r-- root/root 3468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kuw_mb2.sdf -rw-rw-r-- root/root 3466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kuy_mb4.sdf -rw-rw-r-- root/root 3468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kv0_mb7.sdf -rw-rw-r-- root/root 4554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kv8_1wt.sdf -rw-rw-r-- root/root 2547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kvd_1ss.sdf -rw-rw-r-- root/root 2419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kvi_1sv.sdf -rw-rw-r-- root/root 2562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kvw_jf4.sdf -rw-rw-r-- root/root 3632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kw5_1w6.sdf -rw-rw-r-- root/root 2563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kwd_jf2.sdf -rw-rw-r-- root/root 2738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kwf_3ak.sdf -rw-rw-r-- root/root 2207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kwg_2ak.sdf -rw-rw-r-- root/root 3273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kwp_exx.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kxl_6c6.sdf -rw-rw-r-- root/root 3999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kxm_6ia.sdf -rw-rw-r-- root/root 4149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kxn_6k6.sdf -rw-rw-r-- root/root 2321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kxw_dx5.sdf -rw-rw-r-- root/root 4287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kxy_1u0.sdf -rw-rw-r-- root/root 3583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ky2_1w3.sdf -rw-rw-r-- root/root 4424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ky4_04j.sdf -rw-rw-r-- root/root 2795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kyv_1q9.sdf -rw-rw-r-- root/root 2664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kz0_1uj.sdf -rw-rw-r-- root/root 2227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kz3_1u1.sdf -rw-rw-r-- root/root 2501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kz4_4a1.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kz5_1u3.sdf -rw-rw-r-- root/root 2495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kz6_zb6.sdf -rw-rw-r-- root/root 2419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kz7_1u5.sdf -rw-rw-r-- root/root 2212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kz8_1u6.sdf -rw-rw-r-- root/root 2460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kza_nz9.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kzb_nz2.sdf -rw-rw-r-- root/root 3510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kzc_1uk.sdf -rw-rw-r-- root/root 3019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4kzi_zj0.sdf -rw-rw-r-- root/root 4394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l02_1v2.sdf -rw-rw-r-- root/root 2992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l09_1ur.sdf -rw-rw-r-- root/root 2993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l0b_1ut.sdf -rw-rw-r-- root/root 3205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l0i_1uw.sdf -rw-rw-r-- root/root 2883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l0s_1uz.sdf -rw-rw-r-- root/root 3001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l0t_1v0.sdf -rw-rw-r-- root/root 2758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l0v_1v1.sdf -rw-rw-r-- root/root 2861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l10_a63.sdf -rw-rw-r-- root/root 2973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l19_1ua.sdf -rw-rw-r-- root/root 3448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l1t_1wz.sdf -rw-rw-r-- root/root 3431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l1w_str.sdf -rw-rw-r-- root/root 3686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l23_x6k.sdf -rw-rw-r-- root/root 2758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l2f_1v3.sdf -rw-rw-r-- root/root 2753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l2g_1v4.sdf -rw-rw-r-- root/root 3008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l2k_1v8.sdf -rw-rw-r-- root/root 3009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l2o_1dd.sdf -rw-rw-r-- root/root 4031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l2x_yl2.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l2y_xxk.sdf -rw-rw-r-- root/root 3096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l31_f08.sdf -rw-rw-r-- root/root 3712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l32_1vf.sdf -rw-rw-r-- root/root 3333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l33_f70.sdf -rw-rw-r-- root/root 3265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l34_1vg.sdf -rw-rw-r-- root/root 4251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l3p_1uh.sdf -rw-rw-r-- root/root 3034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l3q_926.sdf -rw-rw-r-- root/root 3990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l42_5fi.sdf -rw-rw-r-- root/root 4193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l4m_1xd.sdf -rw-rw-r-- root/root 2329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l4z_d5x.sdf -rw-rw-r-- root/root 2678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l50_d8x.sdf -rw-rw-r-- root/root 2356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l51_hsx.sdf -rw-rw-r-- root/root 4609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l52_1ul.sdf -rw-rw-r-- root/root 4541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l53_1uo.sdf -rw-rw-r-- root/root 3489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l59_1vz.sdf -rw-rw-r-- root/root 4474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l5b_1ux.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l6b_1vs.sdf -rw-rw-r-- root/root 4258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l6c_0bt.sdf -rw-rw-r-- root/root 1996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l6g_cnl.sdf -rw-rw-r-- root/root 3110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l6q_1wu.sdf -rw-rw-r-- root/root 3817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l6s_1wq.sdf -rw-rw-r-- root/root 3539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l6z_1dc.sdf -rw-rw-r-- root/root 3635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l70_1v9.sdf -rw-rw-r-- root/root 4680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l7b_1vv.sdf -rw-rw-r-- root/root 4928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l7c_1vw.sdf -rw-rw-r-- root/root 4698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l7d_1vx.sdf -rw-rw-r-- root/root 4761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l7f_1v5.sdf -rw-rw-r-- root/root 3873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l7h_1w1.sdf -rw-rw-r-- root/root 3873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l7j_1w2.sdf -rw-rw-r-- root/root 3774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l7l_1va.sdf -rw-rw-r-- root/root 4005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l7n_1vb.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l7o_1vd.sdf -rw-rw-r-- root/root 3801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l7p_m95.sdf -rw-rw-r-- root/root 3192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l7r_m00.sdf -rw-rw-r-- root/root 5007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l7s_g7k.sdf -rw-rw-r-- root/root 3966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l7u_1vc.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l8u_9az.sdf -rw-rw-r-- root/root 4289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l8z_rl1.sdf -rw-rw-r-- root/root 3919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l90_rl3.sdf -rw-rw-r-- root/root 3940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l9k_ehf.sdf -rw-rw-r-- root/root 6373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4l9q_9tp.sdf -rw-rw-r-- root/root 3014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4la6_la6.sdf -rw-rw-r-- root/root 3756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4la7_a1o.sdf -rw-rw-r-- root/root 3982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lae_1vm.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lag_1vn.sdf -rw-rw-r-- root/root 3982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lah_1vo.sdf -rw-rw-r-- root/root 4621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lap_1vt.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lau_w8x.sdf -rw-rw-r-- root/root 3349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4laz_1ww.sdf -rw-rw-r-- root/root 4919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lb2_dm5.sdf -rw-rw-r-- root/root 3487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lb3_m15.sdf -rw-rw-r-- root/root 3848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lb4_1wx.sdf -rw-rw-r-- root/root 3611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lbr_4o9.sdf -rw-rw-r-- root/root 3616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lbs_4o8.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lbu_1wj.sdf -rw-rw-r-- root/root 1709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lce_kmt.sdf -rw-rw-r-- root/root 4354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lcf_1wl.sdf -rw-rw-r-- root/root 4702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lcg_1wm.sdf -rw-rw-r-- root/root 4822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lch_1wn.sdf -rw-rw-r-- root/root 3422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lcw_1vy.sdf -rw-rw-r-- root/root 3421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ldl_xqc.sdf -rw-rw-r-- root/root 2184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ldo_ale.sdf -rw-rw-r-- root/root 4205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lek_1dn.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4leq_1wk.sdf -rw-rw-r-- root/root 5902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lez_1sy.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lfv_ys4.sdf -rw-rw-r-- root/root 3615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lga_a2o.sdf -rw-rw-r-- root/root 3528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lgb_1w7.sdf -rw-rw-r-- root/root 5535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lge_1y0.sdf -rw-rw-r-- root/root 3265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lgg_vgg.sdf -rw-rw-r-- root/root 3624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lgh_0jn.sdf -rw-rw-r-- root/root 5325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lgu_1yh.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lh6_1x7.sdf -rw-rw-r-- root/root 2560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lh7_1x8.sdf -rw-rw-r-- root/root 7292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lhu_jls.sdf -rw-rw-r-- root/root 4211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4li5_1wy.sdf -rw-rw-r-- root/root 4106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4li6_1xo.sdf -rw-rw-r-- root/root 4292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4li7_1xp.sdf -rw-rw-r-- root/root 5104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4li8_1xq.sdf -rw-rw-r-- root/root 1135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ljj_6ac.sdf -rw-rw-r-- root/root 3662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lko_1wh.sdf -rw-rw-r-- root/root 2021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lkq_1xm.sdf -rw-rw-r-- root/root 3187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ll5_sk8.sdf -rw-rw-r-- root/root 2081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4llk_mew.sdf -rw-rw-r-- root/root 2172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lm1_7ze.sdf -rw-rw-r-- root/root 2083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lm2_8ze.sdf -rw-rw-r-- root/root 2203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lm3_9ze.sdf -rw-rw-r-- root/root 4306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lmn_eui.sdf -rw-rw-r-- root/root 3249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lmt_cqd.sdf -rw-rw-r-- root/root 3213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ln7_1zq.sdf -rw-rw-r-- root/root 6063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4loi_1yc.sdf -rw-rw-r-- root/root 6075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lok_1yd.sdf -rw-rw-r-- root/root 5385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4loy_6xs.sdf -rw-rw-r-- root/root 4226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lp0_1ym.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lpb_1yp.sdf -rw-rw-r-- root/root 3305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lph_yl3.sdf -rw-rw-r-- root/root 5444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lqg_ctw.sdf -rw-rw-r-- root/root 3826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lrg_1xb.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lrh_fol.sdf -rw-rw-r-- root/root 3268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ls0_b3b.sdf -rw-rw-r-- root/root 3527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ls1_3x2.sdf -rw-rw-r-- root/root 3630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ls2_3xs.sdf -rw-rw-r-- root/root 2607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ls7_1x9.sdf -rw-rw-r-- root/root 4753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lsa_bld.sdf -rw-rw-r-- root/root 4315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lsj_lsj.sdf -rw-rw-r-- root/root 4234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lsl_1yq.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lsn_1yr.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lts_lts.sdf -rw-rw-r-- root/root 2689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4luf_2q5.sdf -rw-rw-r-- root/root 3135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4luo_1dz.sdf -rw-rw-r-- root/root 5007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4luz_1xt.sdf -rw-rw-r-- root/root 2364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lv9_20j.sdf -rw-rw-r-- root/root 4737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lva_20m.sdf -rw-rw-r-- root/root 2559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lvb_20n.sdf -rw-rw-r-- root/root 2456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lvd_1eb.sdf -rw-rw-r-- root/root 2835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lvf_20p.sdf -rw-rw-r-- root/root 3881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lvg_20o.sdf -rw-rw-r-- root/root 2566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lw1_1xs.sdf -rw-rw-r-- root/root 3834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lwb_qj8.sdf -rw-rw-r-- root/root 5156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lwc_1xu.sdf -rw-rw-r-- root/root 3749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lwe_fj2.sdf -rw-rw-r-- root/root 4848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lwh_fj5.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lwi_fj6.sdf -rw-rw-r-- root/root 4038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lwt_20q.sdf -rw-rw-r-- root/root 5551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lwu_20u.sdf -rw-rw-r-- root/root 5713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lwv_20w.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lww_lww.sdf -rw-rw-r-- root/root 5751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lxb_7r9.sdf -rw-rw-r-- root/root 6340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lxd_1xv.sdf -rw-rw-r-- root/root 3579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ly1_20y.sdf -rw-rw-r-- root/root 4864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ly9_1yy.sdf -rw-rw-r-- root/root 3889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lyn_1yg.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lys_2sj.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lyw_21q.sdf -rw-rw-r-- root/root 3539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4lzj_22h.sdf -rw-rw-r-- root/root 3195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m0e_1yl.sdf -rw-rw-r-- root/root 5119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m0f_1yk.sdf -rw-rw-r-- root/root 3992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m0r_644.sdf -rw-rw-r-- root/root 3253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m0y_m0y.sdf -rw-rw-r-- root/root 3489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m0z_m0z.sdf -rw-rw-r-- root/root 3472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m10_icd.sdf -rw-rw-r-- root/root 3470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m11_mxm.sdf -rw-rw-r-- root/root 3733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m14_qws.sdf -rw-rw-r-- root/root 2426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m1j_b0s.sdf -rw-rw-r-- root/root 3791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m2x_tmq.sdf -rw-rw-r-- root/root 3131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m3b_2b2.sdf -rw-rw-r-- root/root 3911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m3d_2h2.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m3e_2b3.sdf -rw-rw-r-- root/root 3129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m3f_2d1.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m3g_2g1.sdf -rw-rw-r-- root/root 3112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m3m_22n.sdf -rw-rw-r-- root/root 3625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m3q_24k.sdf -rw-rw-r-- root/root 3749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m49_22y.sdf -rw-rw-r-- root/root 3746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m4q_21a.sdf -rw-rw-r-- root/root 3639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m52_m52.sdf -rw-rw-r-- root/root 2322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m5a_da2.sdf -rw-rw-r-- root/root 3165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m5g_yh1.sdf -rw-rw-r-- root/root 3199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m5h_yh2.sdf -rw-rw-r-- root/root 3317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m5i_yh6.sdf -rw-rw-r-- root/root 3319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m5k_yh3.sdf -rw-rw-r-- root/root 3315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m5l_yh4.sdf -rw-rw-r-- root/root 1991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m5n_yh7.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m5o_x48.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m5u_20f.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m6l_21v.sdf -rw-rw-r-- root/root 3968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m6p_20r.sdf -rw-rw-r-- root/root 6055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m6q_20t.sdf -rw-rw-r-- root/root 1601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m6u_ttn.sdf -rw-rw-r-- root/root 2325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m72_m72.sdf -rw-rw-r-- root/root 2211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m74_m74.sdf -rw-rw-r-- root/root 3059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m7b_28c.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m7x_27q.sdf -rw-rw-r-- root/root 3531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m7y_2gh.sdf -rw-rw-r-- root/root 3205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m81_pnw.sdf -rw-rw-r-- root/root 4536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m82_ngb.sdf -rw-rw-r-- root/root 3458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m8e_29v.sdf -rw-rw-r-- root/root 3464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m8h_r4m.sdf -rw-rw-r-- root/root 2292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4m8l_5rp.sdf -rw-rw-r-- root/root 3011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ma7_p2z.sdf -rw-rw-r-- root/root 8312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4man_1y1.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mb9_28f.sdf -rw-rw-r-- root/root 4336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mbc_28g.sdf -rw-rw-r-- root/root 3082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mbi_26k.sdf -rw-rw-r-- root/root 3905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mbl_26l.sdf -rw-rw-r-- root/root 5147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mbs_mrv.sdf -rw-rw-r-- root/root 5282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mc1_526.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mc6_23k.sdf -rw-rw-r-- root/root 5177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mc9_23l.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mcb_21w.sdf -rw-rw-r-- root/root 3316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mcc_21x.sdf -rw-rw-r-- root/root 2553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mcd_22l.sdf -rw-rw-r-- root/root 5526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mcp_28z.sdf -rw-rw-r-- root/root 6602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mcq_29c.sdf -rw-rw-r-- root/root 7677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mcr_29d.sdf -rw-rw-r-- root/root 4541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mcv_29k.sdf -rw-rw-r-- root/root 3852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4md6_24e.sdf -rw-rw-r-- root/root 4897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mdd_29m.sdf -rw-rw-r-- root/root 4117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mdk_u94.sdf -rw-rw-r-- root/root 5426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mdn_y30.sdf -rw-rw-r-- root/root 4907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mdq_28w.sdf -rw-rw-r-- root/root 5157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mds_23h.sdf -rw-rw-r-- root/root 7091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mdt_24g.sdf -rw-rw-r-- root/root 3474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4med_rtx.sdf -rw-rw-r-- root/root 3742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mep_24y.sdf -rw-rw-r-- root/root 2804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mes_26g.sdf -rw-rw-r-- root/root 4406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mf0_29z.sdf -rw-rw-r-- root/root 4321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mf1_29y.sdf -rw-rw-r-- root/root 3867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mf3_sxi.sdf -rw-rw-r-- root/root 4097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mfb_29t.sdf -rw-rw-r-- root/root 3841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mg7_27h.sdf -rw-rw-r-- root/root 2381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mgi_cmp.sdf -rw-rw-r-- root/root 4534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mgy_h07.sdf -rw-rw-r-- root/root 4416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mgz_hr6.sdf -rw-rw-r-- root/root 4545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mh0_hr4.sdf -rw-rw-r-- root/root 3849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mh7_mh7.sdf -rw-rw-r-- root/root 4589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mha_4mh.sdf -rw-rw-r-- root/root 2834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mhw_0yn.sdf -rw-rw-r-- root/root 4896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mia_28l.sdf -rw-rw-r-- root/root 4745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mib_28m.sdf -rw-rw-r-- root/root 5083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mik_jil.sdf -rw-rw-r-- root/root 4114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mjo_2c1.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mjp_27o.sdf -rw-rw-r-- root/root 2997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mjq_27r.sdf -rw-rw-r-- root/root 2935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mjr_0la.sdf -rw-rw-r-- root/root 3742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mju_27s.sdf -rw-rw-r-- root/root 3745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mjv_27v.sdf -rw-rw-r-- root/root 3645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mk0_29x.sdf -rw-rw-r-- root/root 1750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mk1_27y.sdf -rw-rw-r-- root/root 2582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mk2_28b.sdf -rw-rw-r-- root/root 2551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mk5_28a.sdf -rw-rw-r-- root/root 2872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mk7_28o.sdf -rw-rw-r-- root/root 4437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mk8_28q.sdf -rw-rw-r-- root/root 4564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mk9_28r.sdf -rw-rw-r-- root/root 4799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mka_2ay.sdf -rw-rw-r-- root/root 4445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mkb_28v.sdf -rw-rw-r-- root/root 5181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mkc_4mk.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mkt_1v6.sdf -rw-rw-r-- root/root 2939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mkt_28t.sdf -rw-rw-r-- root/root 1343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ml4_pye.sdf -rw-rw-r-- root/root 3140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mle_vo1.sdf -rw-rw-r-- root/root 3270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mlh_vo2.sdf -rw-rw-r-- root/root 3990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mlp_2cx.sdf -rw-rw-r-- root/root 2294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mmm_bp7.sdf -rw-rw-r-- root/root 3914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mne_573.sdf -rw-rw-r-- root/root 3668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mnf_29l.sdf -rw-rw-r-- root/root 3289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mns_2ax.sdf -rw-rw-r-- root/root 1718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mnw_zbr.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mnx_29n.sdf -rw-rw-r-- root/root 2792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mny_29o.sdf -rw-rw-r-- root/root 4014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mot_2b7.sdf -rw-rw-r-- root/root 8171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mpu_x2a.sdf -rw-rw-r-- root/root 7910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mpv_2a4.sdf -rw-rw-r-- root/root 7358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mpw_2aj.sdf -rw-rw-r-- root/root 7379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mpx_2av.sdf -rw-rw-r-- root/root 5112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mq1_2c3.sdf -rw-rw-r-- root/root 3888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mq2_2c4.sdf -rw-rw-r-- root/root 4918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mq4_2d5.sdf -rw-rw-r-- root/root 4001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mq6_29w.sdf -rw-rw-r-- root/root 7120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mqa_x00.sdf -rw-rw-r-- root/root 2598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mqf_2bq.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mqp_2b1.sdf -rw-rw-r-- root/root 4040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mqq_2b6.sdf -rw-rw-r-- root/root 3716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mqr_2b9.sdf -rw-rw-r-- root/root 2372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mqs_ixo.sdf -rw-rw-r-- root/root 4812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mqu_mg9.sdf -rw-rw-r-- root/root 4115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mqy_2cw.sdf -rw-rw-r-- root/root 3689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mr7_2bv.sdf -rw-rw-r-- root/root 2286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mr8_2bw.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mr9_2bx.sdf -rw-rw-r-- root/root 1716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mre_2c9.sdf -rw-rw-r-- root/root 1850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mrf_2ck.sdf -rw-rw-r-- root/root 1980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mrg_24w.sdf -rw-rw-r-- root/root 2460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mrm_2by.sdf -rw-rw-r-- root/root 4420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mro_mg0.sdf -rw-rw-r-- root/root 2055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mrw_mrw.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mrz_2zv.sdf -rw-rw-r-- root/root 2317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ms1_381.sdf -rw-rw-r-- root/root 2328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ms4_2c0.sdf -rw-rw-r-- root/root 3203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4msc_2zt.sdf -rw-rw-r-- root/root 3246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mse_2zu.sdf -rw-rw-r-- root/root 1697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4msf_3hy.sdf -rw-rw-r-- root/root 4712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4msg_2c6.sdf -rw-rw-r-- root/root 1978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4msh_2d0.sdf -rw-rw-r-- root/root 4552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4msk_2c8.sdf -rw-rw-r-- root/root 3403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4msl_2et.sdf -rw-rw-r-- root/root 2170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4msn_2zq.sdf -rw-rw-r-- root/root 4174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4msu_2eu.sdf -rw-rw-r-- root/root 4454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mt9_2d6.sdf -rw-rw-r-- root/root 2414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mta_2d2.sdf -rw-rw-r-- root/root 4147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mtb_bzy.sdf -rw-rw-r-- root/root 5437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mti_2dx.sdf -rw-rw-r-- root/root 4125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mtw_2g7.sdf -rw-rw-r-- root/root 2504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mu3_ig2.sdf -rw-rw-r-- root/root 2508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mu4_iyp.sdf -rw-rw-r-- root/root 5913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mu7_2dy.sdf -rw-rw-r-- root/root 4298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mue_2dh.sdf -rw-rw-r-- root/root 4278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4muf_2dj.sdf -rw-rw-r-- root/root 3838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mug_2dk.sdf -rw-rw-r-- root/root 4215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4muh_2dn.sdf -rw-rw-r-- root/root 4052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mui_2dq.sdf -rw-rw-r-- root/root 3933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4muj_2du.sdf -rw-rw-r-- root/root 4414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4muk_2dv.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mul_2dw.sdf -rw-rw-r-- root/root 4668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mun_2dz.sdf -rw-rw-r-- root/root 2972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4muu_218.sdf -rw-rw-r-- root/root 4577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4muw_2f4.sdf -rw-rw-r-- root/root 2527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mux_2e4.sdf -rw-rw-r-- root/root 2525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4muy_2e5.sdf -rw-rw-r-- root/root 2527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mv0_2e6.sdf -rw-rw-r-- root/root 2666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mv5_2e7.sdf -rw-rw-r-- root/root 1471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mv7_ppf.sdf -rw-rw-r-- root/root 4203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mvh_2f5.sdf -rw-rw-r-- root/root 4480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mwo_2e2.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mwx_zmr.sdf -rw-rw-r-- root/root 3637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mwy_lnv.sdf -rw-rw-r-- root/root 3849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mx1_1mx.sdf -rw-rw-r-- root/root 3233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mx5_5mx.sdf -rw-rw-r-- root/root 5659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mxc_dwf.sdf -rw-rw-r-- root/root 6689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4my6_3vh.sdf -rw-rw-r-- root/root 2718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4myd_164.sdf -rw-rw-r-- root/root 3526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4mye_xmm.sdf -rw-rw-r-- root/root 3766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4myq_19t.sdf -rw-rw-r-- root/root 4155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n00_2ex.sdf -rw-rw-r-- root/root 2083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n0s_dhc.sdf -rw-rw-r-- root/root 3922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n14_wr7.sdf -rw-rw-r-- root/root 4564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n1b_2fs.sdf -rw-rw-r-- root/root 2093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n1o_lsa.sdf -rw-rw-r-- root/root 1746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n1p_wm1.sdf -rw-rw-r-- root/root 1723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n1q_wm2.sdf -rw-rw-r-- root/root 1935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n1r_wm3.sdf -rw-rw-r-- root/root 1806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n1s_wm4.sdf -rw-rw-r-- root/root 2691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n1t_2gd.sdf -rw-rw-r-- root/root 2953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n1u_2ge.sdf -rw-rw-r-- root/root 3546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n1z_n1z.sdf -rw-rw-r-- root/root 2611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n34_2f8.sdf -rw-rw-r-- root/root 4706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n3r_2gu.sdf -rw-rw-r-- root/root 2690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n4d_xx8.sdf -rw-rw-r-- root/root 4444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n4s_2h1.sdf -rw-rw-r-- root/root 4578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n4t_2gv.sdf -rw-rw-r-- root/root 4615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n4v_2gy.sdf -rw-rw-r-- root/root 3967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n4w_snt.sdf -rw-rw-r-- root/root 4032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n5g_k09.sdf -rw-rw-r-- root/root 2998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n65_aqn.sdf -rw-rw-r-- root/root 3495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n6y_2hv.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n6z_2hw.sdf -rw-rw-r-- root/root 4655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n70_2hx.sdf -rw-rw-r-- root/root 5918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n73_coh.sdf -rw-rw-r-- root/root 1388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n7a_3ax.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n7e_2jq.sdf -rw-rw-r-- root/root 2461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n7u_2ja.sdf -rw-rw-r-- root/root 3543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n86_gbj.sdf -rw-rw-r-- root/root 3480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n8d_2ks.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n8e_2kv.sdf -rw-rw-r-- root/root 1954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n8q_fa0.sdf -rw-rw-r-- root/root 3898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n8r_k08.sdf -rw-rw-r-- root/root 1682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n8s_eac.sdf -rw-rw-r-- root/root 1948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n93_6m1.sdf -rw-rw-r-- root/root 2074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n96_6ni.sdf -rw-rw-r-- root/root 2070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n97_2hu.sdf -rw-rw-r-- root/root 2512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n98_4fc.sdf -rw-rw-r-- root/root 2710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n99_2j1.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n9a_2j2.sdf -rw-rw-r-- root/root 2434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n9b_2hh.sdf -rw-rw-r-- root/root 2090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n9c_2zm.sdf -rw-rw-r-- root/root 4147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n9d_2hj.sdf -rw-rw-r-- root/root 4553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n9e_2hl.sdf -rw-rw-r-- root/root 2712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n9q_uq1.sdf -rw-rw-r-- root/root 2114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4n9s_8hx.sdf -rw-rw-r-- root/root 6021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4na7_1t5.sdf -rw-rw-r-- root/root 5184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4na8_1t6.sdf -rw-rw-r-- root/root 4829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4na9_1t7.sdf -rw-rw-r-- root/root 4877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nah_2vj.sdf -rw-rw-r-- root/root 2641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nak_pbq.sdf -rw-rw-r-- root/root 2707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nal_h70.sdf -rw-rw-r-- root/root 2560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nan_2jm.sdf -rw-rw-r-- root/root 2434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nap_dtr.sdf -rw-rw-r-- root/root 3999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nat_2w5.sdf -rw-rw-r-- root/root 5132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nau_2w3.sdf -rw-rw-r-- root/root 4289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nb4_sh3.sdf -rw-rw-r-- root/root 3274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nc5_fsi.sdf -rw-rw-r-- root/root 4178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ncg_2kw.sdf -rw-rw-r-- root/root 3702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ncm_704.sdf -rw-rw-r-- root/root 5793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nct_2k2.sdf -rw-rw-r-- root/root 2560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nda_niy.sdf -rw-rw-r-- root/root 3797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ne2_sh2.sdf -rw-rw-r-- root/root 1715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nej_2k1.sdf -rw-rw-r-- root/root 4181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4neu_q1a.sdf -rw-rw-r-- root/root 3642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nev_2jr.sdf -rw-rw-r-- root/root 2068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nf5_2jj.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nfi_jd5.sdf -rw-rw-r-- root/root 4508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nfl_2jw.sdf -rw-rw-r-- root/root 3926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nfn_2kc.sdf -rw-rw-r-- root/root 5991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nfs_naj.sdf -rw-rw-r-- root/root 2686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ng6_ris.sdf -rw-rw-r-- root/root 5372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ng9_2ke.sdf -rw-rw-r-- root/root 5598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nga_2kf.sdf -rw-rw-r-- root/root 4620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ngm_jb7.sdf -rw-rw-r-- root/root 4294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ngn_j96.sdf -rw-rw-r-- root/root 6154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ngp_j31.sdf -rw-rw-r-- root/root 5272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ngq_j37.sdf -rw-rw-r-- root/root 5127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ngr_j21.sdf -rw-rw-r-- root/root 5761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ngs_j34.sdf -rw-rw-r-- root/root 5895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ngt_j42.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nh9_2lc.sdf -rw-rw-r-- root/root 2046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nhk_pd2.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ni0_2p3.sdf -rw-rw-r-- root/root 4495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nie_nbh.sdf -rw-rw-r-- root/root 2147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4njb_3op.sdf -rw-rw-r-- root/root 4243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4njd_njd.sdf -rw-rw-r-- root/root 2460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4njg_hhs.sdf -rw-rw-r-- root/root 2394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4njk_2ka.sdf -rw-rw-r-- root/root 4463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nk9_2k5.sdf -rw-rw-r-- root/root 4465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nka_2k7.sdf -rw-rw-r-- root/root 3015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nkc_2hz.sdf -rw-rw-r-- root/root 4014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nks_2m2.sdf -rw-rw-r-- root/root 3927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nkv_aer.sdf -rw-rw-r-- root/root 3651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nkz_lzz.sdf -rw-rw-r-- root/root 4088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nld_2n5.sdf -rw-rw-r-- root/root 3620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nmh_2kg.sdf -rw-rw-r-- root/root 2889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nns_75d.sdf -rw-rw-r-- root/root 2747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nnt_76d.sdf -rw-rw-r-- root/root 4037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4no7_2n8.sdf -rw-rw-r-- root/root 2725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4np2_2l1.sdf -rw-rw-r-- root/root 2849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4np3_2l2.sdf -rw-rw-r-- root/root 3490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4np9_i3p.sdf -rw-rw-r-- root/root 3198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4npv_0nk.sdf -rw-rw-r-- root/root 3532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4npw_0ny.sdf -rw-rw-r-- root/root 5050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nqn_y1z.sdf -rw-rw-r-- root/root 3519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nr4_2lk.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nr5_2ll.sdf -rw-rw-r-- root/root 4699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nr6_2ln.sdf -rw-rw-r-- root/root 2739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nra_2lw.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nrb_2lx.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nrc_2ly.sdf -rw-rw-r-- root/root 3847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ns0_pio.sdf -rw-rw-r-- root/root 3265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nt0_3du.sdf -rw-rw-r-- root/root 2271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nt3_zaw.sdf -rw-rw-r-- root/root 4536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ntj_azj.sdf -rw-rw-r-- root/root 1146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ntk_zsp.sdf -rw-rw-r-- root/root 2553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ntm_2k8.sdf -rw-rw-r-- root/root 2455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ntx_amr.sdf -rw-rw-r-- root/root 3844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nuc_435.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nud_nud.sdf -rw-rw-r-- root/root 3975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nue_nue.sdf -rw-rw-r-- root/root 3948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nus_2nk.sdf -rw-rw-r-- root/root 2532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nvg_2n9.sdf -rw-rw-r-- root/root 2315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nvh_2nb.sdf -rw-rw-r-- root/root 2069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nvi_2nw.sdf -rw-rw-r-- root/root 2389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nvj_2nx.sdf -rw-rw-r-- root/root 2530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nvk_2ny.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nvl_2nz.sdf -rw-rw-r-- root/root 2311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nvm_2o0.sdf -rw-rw-r-- root/root 2464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nvn_2o1.sdf -rw-rw-r-- root/root 2263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nvo_556.sdf -rw-rw-r-- root/root 3526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nvq_2od.sdf -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nw5_2nr.sdf -rw-rw-r-- root/root 4294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nw6_2ns.sdf -rw-rw-r-- root/root 3881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nw7_2o5.sdf -rw-rw-r-- root/root 2599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nwc_2qe.sdf -rw-rw-r-- root/root 2582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nwd_2qd.sdf -rw-rw-r-- root/root 5795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nwm_2p5.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nx2_2lt.sdf -rw-rw-r-- root/root 3629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nx4_jpr.sdf -rw-rw-r-- root/root 4622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nxo_2h7.sdf -rw-rw-r-- root/root 2569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nxr_ans.sdf -rw-rw-r-- root/root 3251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nxs_2oz.sdf -rw-rw-r-- root/root 4762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ny4_2qh.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ny9_2q4.sdf -rw-rw-r-- root/root 3852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nyf_4bi.sdf -rw-rw-r-- root/root 4480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nyi_2px.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nyj_2pz.sdf -rw-rw-r-- root/root 2232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nyv_15e.sdf -rw-rw-r-- root/root 4065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nyw_2o3.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nyx_2o4.sdf -rw-rw-r-- root/root 3891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nz2_2qj.sdf -rw-rw-r-- root/root 3403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nz9_1jt.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nzb_nse.sdf -rw-rw-r-- root/root 5597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nzn_2ou.sdf -rw-rw-r-- root/root 5574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4nzo_2ov.sdf -rw-rw-r-- root/root 3760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o04_2q8.sdf -rw-rw-r-- root/root 4535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o05_2q9.sdf -rw-rw-r-- root/root 4530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o07_fgh.sdf -rw-rw-r-- root/root 4035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o09_2r6.sdf -rw-rw-r-- root/root 5533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o0a_2p9.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o0b_2qa.sdf -rw-rw-r-- root/root 4237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o0v_2ol.sdf -rw-rw-r-- root/root 3770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o0x_2oq.sdf -rw-rw-r-- root/root 3651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o0y_2oo.sdf -rw-rw-r-- root/root 4174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o0z_2rm.sdf -rw-rw-r-- root/root 4171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o10_2qf.sdf -rw-rw-r-- root/root 3674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o12_2qg.sdf -rw-rw-r-- root/root 4449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o13_2p1.sdf -rw-rw-r-- root/root 5855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o16_1xc.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o1l_ho4.sdf -rw-rw-r-- root/root 2284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o1y_nla.sdf -rw-rw-r-- root/root 4126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o2a_2rr.sdf -rw-rw-r-- root/root 4731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o2p_11v.sdf -rw-rw-r-- root/root 4012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o33_tzn.sdf -rw-rw-r-- root/root 4404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o3q_xg4.sdf -rw-rw-r-- root/root 4791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o44_2rs.sdf -rw-rw-r-- root/root 3615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o4g_2rt.sdf -rw-rw-r-- root/root 3420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o4p_1c6.sdf -rw-rw-r-- root/root 4448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o6e_2sh.sdf -rw-rw-r-- root/root 4947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o6l_2qk.sdf -rw-rw-r-- root/root 4190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o72_2r4.sdf -rw-rw-r-- root/root 3604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o77_2re.sdf -rw-rw-r-- root/root 3412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o7a_2rf.sdf -rw-rw-r-- root/root 4562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o7b_2rj.sdf -rw-rw-r-- root/root 4091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o7c_2rk.sdf -rw-rw-r-- root/root 3472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o7e_2rn.sdf -rw-rw-r-- root/root 4555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o7f_2rq.sdf -rw-rw-r-- root/root 3849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o7u_ss7.sdf -rw-rw-r-- root/root 4648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o7u_thf.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o8z_bbi.sdf -rw-rw-r-- root/root 5287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o91_ng2.sdf -rw-rw-r-- root/root 5069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o97_ntx.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o9r_cy8.sdf -rw-rw-r-- root/root 4361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o9s_2ry.sdf -rw-rw-r-- root/root 4835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4o9v_nt4.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oa7_2xs.sdf -rw-rw-r-- root/root 3425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oaa_tdg.sdf -rw-rw-r-- root/root 4978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oar_2s0.sdf -rw-rw-r-- root/root 5092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oas_2sw.sdf -rw-rw-r-- root/root 5130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oba_2tw.sdf -rw-rw-r-- root/root 2766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4obo_2qv.sdf -rw-rw-r-- root/root 2792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4obp_2qu.sdf -rw-rw-r-- root/root 3870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4obq_2qt.sdf -rw-rw-r-- root/root 2115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4obr_idr.sdf -rw-rw-r-- root/root 3587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4obz_2s4.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oc0_2r7.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oc1_2qs.sdf -rw-rw-r-- root/root 4093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oc2_2qq.sdf -rw-rw-r-- root/root 4470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oc3_2qp.sdf -rw-rw-r-- root/root 4574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oc4_2qn.sdf -rw-rw-r-- root/root 4568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oc5_2qm.sdf -rw-rw-r-- root/root 7498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oc6_2s1.sdf -rw-rw-r-- root/root 3199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oc7_2qo.sdf -rw-rw-r-- root/root 6729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oca_2qr.sdf -rw-rw-r-- root/root 4969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4occ_2tz.sdf -rw-rw-r-- root/root 3595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ocz_2ru.sdf -rw-rw-r-- root/root 3574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4od0_2rv.sdf -rw-rw-r-- root/root 5224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4od9_2rz.sdf -rw-rw-r-- root/root 6132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ode_2u0.sdf -rw-rw-r-- root/root 5974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4odf_2u1.sdf -rw-rw-r-- root/root 1718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oek_pea.sdf -rw-rw-r-- root/root 4199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oew_5io.sdf -rw-rw-r-- root/root 4079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oex_5eo.sdf -rw-rw-r-- root/root 4330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4og3_2s6.sdf -rw-rw-r-- root/root 4329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4og4_2vk.sdf -rw-rw-r-- root/root 4344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4og5_2s7.sdf -rw-rw-r-- root/root 4457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4og6_2s9.sdf -rw-rw-r-- root/root 4587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4og7_2se.sdf -rw-rw-r-- root/root 4323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4og8_2sf.sdf -rw-rw-r-- root/root 1467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4og8_tbf.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ogb_2sr.sdf -rw-rw-r-- root/root 5977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ogn_2u5.sdf -rw-rw-r-- root/root 5973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ogt_2u6.sdf -rw-rw-r-- root/root 4968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ogv_2u7.sdf -rw-rw-r-- root/root 3063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oha_hft.sdf -rw-rw-r-- root/root 4827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ohk_2te.sdf -rw-rw-r-- root/root 4605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ohm_2tf.sdf -rw-rw-r-- root/root 4463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oho_2tg.sdf -rw-rw-r-- root/root 4223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ohp_2tj.sdf -rw-rw-r-- root/root 3066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ohu_2tk.sdf -rw-rw-r-- root/root 3174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oim_jus.sdf -rw-rw-r-- root/root 6327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oir_rfv.sdf -rw-rw-r-- root/root 4400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oiv_xx9.sdf -rw-rw-r-- root/root 2053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oj8_2tq.sdf -rw-rw-r-- root/root 4107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ojb_198.sdf -rw-rw-r-- root/root 2322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ojq_2sx.sdf -rw-rw-r-- root/root 4655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ojr_2sq.sdf -rw-rw-r-- root/root 2774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ojt_2wp.sdf -rw-rw-r-- root/root 3124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ok3_2sy.sdf -rw-rw-r-- root/root 3231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ok5_2t2.sdf -rw-rw-r-- root/root 3605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ok6_2t7.sdf -rw-rw-r-- root/root 5519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4okg_2sz.sdf -rw-rw-r-- root/root 4549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oks_2t9.sdf -rw-rw-r-- root/root 2506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4old_2uz.sdf -rw-rw-r-- root/root 5119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4olh_2to.sdf -rw-rw-r-- root/root 3284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oli_2tt.sdf -rw-rw-r-- root/root 5260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ome_dgq.sdf -rw-rw-r-- root/root 4336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4omj_2tx.sdf -rw-rw-r-- root/root 4103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4omk_sql.sdf -rw-rw-r-- root/root 3936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4onc_40b.sdf -rw-rw-r-- root/root 6463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oni_p6l.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oo9_2u8.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4op1_2uw.sdf -rw-rw-r-- root/root 4077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4op2_2ux.sdf -rw-rw-r-- root/root 4911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4op3_2uy.sdf -rw-rw-r-- root/root 4437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4opn_zbf.sdf -rw-rw-r-- root/root 2790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4opp_11z.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oq3_2v8.sdf -rw-rw-r-- root/root 4944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oq5_2uu.sdf -rw-rw-r-- root/root 2861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oq6_2uv.sdf -rw-rw-r-- root/root 3131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oql_f2u.sdf -rw-rw-r-- root/root 3066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oqm_fdu.sdf -rw-rw-r-- root/root 2830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oqn_edu.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oqx_edv.sdf -rw-rw-r-- root/root 3737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4or2_fm9.sdf -rw-rw-r-- root/root 807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4or5_yt3.sdf -rw-rw-r-- root/root 3604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4or7_25u.sdf -rw-rw-r-- root/root 3870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4orm_2v6.sdf -rw-rw-r-- root/root 2366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4orv_xxc.sdf -rw-rw-r-- root/root 9956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4orx_peu.sdf -rw-rw-r-- root/root 3960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4osg_06u.sdf -rw-rw-r-- root/root 5821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ot5_481.sdf -rw-rw-r-- root/root 5707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ot6_2v1.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4otg_2v9.sdf -rw-rw-r-- root/root 4527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oth_drn.sdf -rw-rw-r-- root/root 8553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4otj_ixp.sdf -rw-rw-r-- root/root 4799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4otq_2v2.sdf -rw-rw-r-- root/root 6173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4otr_2v3.sdf -rw-rw-r-- root/root 2743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ovf_2vg.sdf -rw-rw-r-- root/root 3233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ovg_2vf.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ovh_2ve.sdf -rw-rw-r-- root/root 3047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ovl_1td.sdf -rw-rw-r-- root/root 4093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ovz_p85.sdf -rw-rw-r-- root/root 4099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ow0_s88.sdf -rw-rw-r-- root/root 1981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4owm_3f0.sdf -rw-rw-r-- root/root 1954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4own_5rg.sdf -rw-rw-r-- root/root 1981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4owo_6f0.sdf -rw-rw-r-- root/root 1970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4owq_3m0.sdf -rw-rw-r-- root/root 1972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ows_4m0.sdf -rw-rw-r-- root/root 1972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4owu_5m0.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oxk_1s5.sdf -rw-rw-r-- root/root 1391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oxn_2nv.sdf -rw-rw-r-- root/root 3101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oxy_1tn.sdf -rw-rw-r-- root/root 2866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oyr_1us.sdf -rw-rw-r-- root/root 4361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4oys_1tt.sdf -rw-rw-r-- root/root 2316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p05_4ns.sdf -rw-rw-r-- root/root 2679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p06_mux.sdf -rw-rw-r-- root/root 3774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p0n_1ir.sdf -rw-rw-r-- root/root 3776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p0n_1is.sdf -rw-rw-r-- root/root 3540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p0w_1xh.sdf -rw-rw-r-- root/root 3421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p0x_1wo.sdf -rw-rw-r-- root/root 2958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p10_2b8.sdf -rw-rw-r-- root/root 3630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p1r_2kr.sdf -rw-rw-r-- root/root 4911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p2t_24q.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p38_21t.sdf -rw-rw-r-- root/root 4697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p3h_25g.sdf -rw-rw-r-- root/root 4966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p3p_2cr.sdf -rw-rw-r-- root/root 5091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p44_2f7.sdf -rw-rw-r-- root/root 4960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p45_2f9.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p4b_2g2.sdf -rw-rw-r-- root/root 3616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p4c_25q.sdf -rw-rw-r-- root/root 3590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p4d_2gr.sdf -rw-rw-r-- root/root 3464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p4e_2g4.sdf -rw-rw-r-- root/root 3825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p4f_2gb.sdf -rw-rw-r-- root/root 3990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p4i_2g5.sdf -rw-rw-r-- root/root 3989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p4j_2h9.sdf -rw-rw-r-- root/root 2087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p58_2f6.sdf -rw-rw-r-- root/root 4527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p5d_n6p.sdf -rw-rw-r-- root/root 4207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p5q_q0b.sdf -rw-rw-r-- root/root 5031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p5z_q7m.sdf -rw-rw-r-- root/root 4470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p68_mtx.sdf -rw-rw-r-- root/root 2328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p6c_res.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p6e_2fc.sdf -rw-rw-r-- root/root 4866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p6g_2fz.sdf -rw-rw-r-- root/root 4885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p6w_mof.sdf -rw-rw-r-- root/root 3868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p6x_hcy.sdf -rw-rw-r-- root/root 3015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p72_2nl.sdf -rw-rw-r-- root/root 4175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p73_gax.sdf -rw-rw-r-- root/root 3559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p74_2u9.sdf -rw-rw-r-- root/root 2653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p75_2nm.sdf -rw-rw-r-- root/root 4080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p8c_y22.sdf -rw-rw-r-- root/root 3733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p8l_36c.sdf -rw-rw-r-- root/root 3955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p8m_r58.sdf -rw-rw-r-- root/root 3975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p8n_r57.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p8o_883.sdf -rw-rw-r-- root/root 3743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p8p_rg2.sdf -rw-rw-r-- root/root 3839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p8t_r26.sdf -rw-rw-r-- root/root 3846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p8y_38c.sdf -rw-rw-r-- root/root 4383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p90_2k0.sdf -rw-rw-r-- root/root 7570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p9w_r3m.sdf -rw-rw-r-- root/root 7571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p9x_r3g.sdf -rw-rw-r-- root/root 7912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4p9y_2ko.sdf -rw-rw-r-- root/root 2204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pax_nu1.sdf -rw-rw-r-- root/root 2934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pbs_2l7.sdf -rw-rw-r-- root/root 3417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pbt_2lq.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pf3_hfn.sdf -rw-rw-r-- root/root 2858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pf5_m3n.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pfd_2r2.sdf -rw-rw-r-- root/root 2034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pgl_sol.sdf -rw-rw-r-- root/root 2434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pgn_3io.sdf -rw-rw-r-- root/root 4171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pgq_1fz.sdf -rw-rw-r-- root/root 3519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ph4_2ug.sdf -rw-rw-r-- root/root 2424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ph9_ibp.sdf -rw-rw-r-- root/root 2215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4phk_2ub.sdf -rw-rw-r-- root/root 2585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4phm_2ud.sdf -rw-rw-r-- root/root 5052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4phu_2yb.sdf -rw-rw-r-- root/root 4218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4phw_2w1.sdf -rw-rw-r-- root/root 2213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pio_avi.sdf -rw-rw-r-- root/root 4560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4piv_2w4.sdf -rw-rw-r-- root/root 3974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pjv_2yq.sdf -rw-rw-r-- root/root 4152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pk5_pkj.sdf -rw-rw-r-- root/root 3881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pk6_pkl.sdf -rw-rw-r-- root/root 3625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pkr_2zl.sdf -rw-rw-r-- root/root 3644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pks_30h.sdf -rw-rw-r-- root/root 3997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pkt_30o.sdf -rw-rw-r-- root/root 3752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pku_30p.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pkv_30r.sdf -rw-rw-r-- root/root 6224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ple_eph.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pm0_32v.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pm1_esz.sdf -rw-rw-r-- root/root 3827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pme_cur.sdf -rw-rw-r-- root/root 5063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pmm_31v.sdf -rw-rw-r-- root/root 4189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pmp_31w.sdf -rw-rw-r-- root/root 4681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pms_31x.sdf -rw-rw-r-- root/root 4324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pmt_31y.sdf -rw-rw-r-- root/root 2448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pnc_7np.sdf -rw-rw-r-- root/root 5356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pni_kqq.sdf -rw-rw-r-- root/root 3956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pnk_kzq.sdf -rw-rw-r-- root/root 4566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pnu_2vd.sdf -rw-rw-r-- root/root 3421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pnw_2vm.sdf -rw-rw-r-- root/root 4082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pnz_2vh.sdf -rw-rw-r-- root/root 3450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4poh_2vr.sdf -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4poj_2vp.sdf -rw-rw-r-- root/root 2720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pov_2vy.sdf -rw-rw-r-- root/root 3158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pox_2w2.sdf -rw-rw-r-- root/root 3092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pp0_op1.sdf -rw-rw-r-- root/root 3445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pp3_2vz.sdf -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pp5_2w0.sdf -rw-rw-r-- root/root 4111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pp7_2vx.sdf -rw-rw-r-- root/root 3725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pp9_2vt.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ppa_2vu.sdf -rw-rw-r-- root/root 4729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ppb_2vv.sdf -rw-rw-r-- root/root 4728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ppc_2vw.sdf -rw-rw-r-- root/root 4389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pqn_2w6.sdf -rw-rw-r-- root/root 3001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pr4_2w8.sdf -rw-rw-r-- root/root 2101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pr8_urc.sdf -rw-rw-r-- root/root 6247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4prq_t3y.sdf -rw-rw-r-- root/root 2903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4prr_2w9.sdf -rw-rw-r-- root/root 3474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4prt_2wb.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ps3_2wh.sdf -rw-rw-r-- root/root 2906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ps7_2wj.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ps8_2wk.sdf -rw-rw-r-- root/root 3829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4psq_2wl.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ptc_2we.sdf -rw-rw-r-- root/root 3270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pte_2wf.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ptg_2wg.sdf -rw-rw-r-- root/root 1385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ptn_gxv.sdf -rw-rw-r-- root/root 2731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pul_2wu.sdf -rw-rw-r-- root/root 2420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4puu_2wr.sdf -rw-rw-r-- root/root 2774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4puw_2wq.sdf -rw-rw-r-- root/root 4338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4puz_cg9.sdf -rw-rw-r-- root/root 5100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pv0_cg4.sdf -rw-rw-r-- root/root 4789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pv5_cbw.sdf -rw-rw-r-- root/root 3381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pv7_cjp.sdf -rw-rw-r-- root/root 5297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pvg_2wt.sdf -rw-rw-r-- root/root 3773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pvx_ys1.sdf -rw-rw-r-- root/root 3736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pvy_jd1.sdf -rw-rw-r-- root/root 3229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pwf_pwf.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pwi_roa.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pwj_30z.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pwk_pwk.sdf -rw-rw-r-- root/root 4338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4px2_2wy.sdf -rw-rw-r-- root/root 4483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4px3_2wx.sdf -rw-rw-r-- root/root 5026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4px5_2wz.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4px6_2x6.sdf -rw-rw-r-- root/root 2824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pxk_lfa.sdf -rw-rw-r-- root/root 4744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pxs_2y6.sdf -rw-rw-r-- root/root 4192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pxz_6ad.sdf -rw-rw-r-- root/root 4663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4py0_6at.sdf -rw-rw-r-- root/root 3748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4py1_2yk.sdf -rw-rw-r-- root/root 3265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4py2_43e.sdf -rw-rw-r-- root/root 3675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4py4_xl2.sdf -rw-rw-r-- root/root 4368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pya_2x3.sdf -rw-rw-r-- root/root 3031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pyl_tcw.sdf -rw-rw-r-- root/root 3128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pyq_2x1.sdf -rw-rw-r-- root/root 4127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pyv_2xf.sdf -rw-rw-r-- root/root 6973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pzt_sop.sdf -rw-rw-r-- root/root 2099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4pzy_2xr.sdf -rw-rw-r-- root/root 1592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q03_2xe.sdf -rw-rw-r-- root/root 4002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q0a_4oa.sdf -rw-rw-r-- root/root 3103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q0n_2xd.sdf -rw-rw-r-- root/root 3416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q0o_2xc.sdf -rw-rw-r-- root/root 4583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q18_2xj.sdf -rw-rw-r-- root/root 3963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q19_2xl.sdf -rw-rw-r-- root/root 4333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q1a_2xz.sdf -rw-rw-r-- root/root 4580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q1b_2y0.sdf -rw-rw-r-- root/root 4587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q1c_2xm.sdf -rw-rw-r-- root/root 4480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q1d_2y1.sdf -rw-rw-r-- root/root 4262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q1e_2y7.sdf -rw-rw-r-- root/root 4263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q1e_2y8.sdf -rw-rw-r-- root/root 4627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q1f_2xn.sdf -rw-rw-r-- root/root 4769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q1n_2y9.sdf -rw-rw-r-- root/root 5753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q1p_2xt.sdf -rw-rw-r-- root/root 6125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q1r_2xu.sdf -rw-rw-r-- root/root 4567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q27_2xv.sdf -rw-rw-r-- root/root 5709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q2f_2xw.sdf -rw-rw-r-- root/root 4492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q2v_0xe.sdf -rw-rw-r-- root/root 2095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q2x_ggb.sdf -rw-rw-r-- root/root 5866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q4c_i8p.sdf -rw-rw-r-- root/root 5804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q4d_2yn.sdf -rw-rw-r-- root/root 2314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q4m_2yl.sdf -rw-rw-r-- root/root 3540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q4o_2ym.sdf -rw-rw-r-- root/root 3412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q4p_2yo.sdf -rw-rw-r-- root/root 2741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q4q_saq.sdf -rw-rw-r-- root/root 2683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q4r_sqo.sdf -rw-rw-r-- root/root 2943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q4s_s98.sdf -rw-rw-r-- root/root 3590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q5v_2ze.sdf -rw-rw-r-- root/root 3223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q7b_2yz.sdf -rw-rw-r-- root/root 1760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q7n_2zo.sdf -rw-rw-r-- root/root 2496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q8b_sxx.sdf -rw-rw-r-- root/root 4058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q8e_0kx.sdf -rw-rw-r-- root/root 2994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q8o_ckr.sdf -rw-rw-r-- root/root 3707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q8s_pnr.sdf -rw-rw-r-- root/root 3538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q8t_2yv.sdf -rw-rw-r-- root/root 4018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q8u_2yw.sdf -rw-rw-r-- root/root 3784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q8v_2yx.sdf -rw-rw-r-- root/root 3909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q8w_2yy.sdf -rw-rw-r-- root/root 3615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q9o_2zw.sdf -rw-rw-r-- root/root 2484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q9s_30g.sdf -rw-rw-r-- root/root 3378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4q9z_pzw.sdf -rw-rw-r-- root/root 2845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qa0_shh.sdf -rw-rw-r-- root/root 3436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qaa_kk1.sdf -rw-rw-r-- root/root 3362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qab_kk2.sdf -rw-rw-r-- root/root 3493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qac_kk3.sdf -rw-rw-r-- root/root 2668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qag_f95.sdf -rw-rw-r-- root/root 3876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qb8_1te.sdf -rw-rw-r-- root/root 4588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qbj_2xq.sdf -rw-rw-r-- root/root 4475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qbk_3nz.sdf -rw-rw-r-- root/root 3597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qbx_30l.sdf -rw-rw-r-- root/root 2785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qbz_d80.sdf -rw-rw-r-- root/root 2778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qc0_xg1.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qd3_5ae.sdf -rw-rw-r-- root/root 4807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qd6_30t.sdf -rw-rw-r-- root/root 4695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qdd_30q.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qde_30s.sdf -rw-rw-r-- root/root 1846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qdp_arb.sdf -rw-rw-r-- root/root 3382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qdv_30u.sdf -rw-rw-r-- root/root 1830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qdw_lai.sdf -rw-rw-r-- root/root 1863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qe1_ruu.sdf -rw-rw-r-- root/root 1861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qe4_34v.sdf -rw-rw-r-- root/root 4260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qe8_31d.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qeb_31g.sdf -rw-rw-r-- root/root 1865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qee_z6j.sdf -rw-rw-r-- root/root 1873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qeh_32o.sdf -rw-rw-r-- root/root 4279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qev_31o.sdf -rw-rw-r-- root/root 4393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qew_31p.sdf -rw-rw-r-- root/root 3746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qf7_c0r.sdf -rw-rw-r-- root/root 2963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qf9_35k.sdf -rw-rw-r-- root/root 3991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qfc_31t.sdf -rw-rw-r-- root/root 3358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qfd_31r.sdf -rw-rw-r-- root/root 3918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qfr_32j.sdf -rw-rw-r-- root/root 4863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qg7_32k.sdf -rw-rw-r-- root/root 4759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qga_31z.sdf -rw-rw-r-- root/root 4160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qge_35o.sdf -rw-rw-r-- root/root 5105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qgf_32b.sdf -rw-rw-r-- root/root 5239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qgg_32c.sdf -rw-rw-r-- root/root 5240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qgh_32e.sdf -rw-rw-r-- root/root 3330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qhc_33v.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qho_nkg.sdf -rw-rw-r-- root/root 3387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qhv_ixf.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qim_a8t.sdf -rw-rw-r-- root/root 4955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qin_sg8.sdf -rw-rw-r-- root/root 4813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qj0_wwx.sdf -rw-rw-r-- root/root 3860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qj1_n09.sdf -rw-rw-r-- root/root 3387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qjc_ixe.sdf -rw-rw-r-- root/root 4398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qjp_v1f.sdf -rw-rw-r-- root/root 3837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qjw_wwo.sdf -rw-rw-r-- root/root 3503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qjz_33m.sdf -rw-rw-r-- root/root 7908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qk4_pik.sdf -rw-rw-r-- root/root 3594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qkz_qzk.sdf -rw-rw-r-- root/root 4984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ql1_35q.sdf -rw-rw-r-- root/root 3305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ql8_jad.sdf -rw-rw-r-- root/root 6186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qll_ctt.sdf -rw-rw-r-- root/root 4300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qm0_39k.sdf -rw-rw-r-- root/root 2812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qmc_bso.sdf -rw-rw-r-- root/root 4036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qmm_35r.sdf -rw-rw-r-- root/root 3011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qmo_34l.sdf -rw-rw-r-- root/root 4305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qmq_34u.sdf -rw-rw-r-- root/root 5095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qmt_h1n.sdf -rw-rw-r-- root/root 3861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qmu_ske.sdf -rw-rw-r-- root/root 4696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qmv_34w.sdf -rw-rw-r-- root/root 3556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qmw_ks1.sdf -rw-rw-r-- root/root 2427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qna_x11.sdf -rw-rw-r-- root/root 8321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qnq_1xj.sdf -rw-rw-r-- root/root 5267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qo4_35s.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qo7_36v.sdf -rw-rw-r-- root/root 3538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qo8_36u.sdf -rw-rw-r-- root/root 4870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qo9_627.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qoc_35t.sdf -rw-rw-r-- root/root 2669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qog_ml1.sdf -rw-rw-r-- root/root 2634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qox_dxr.sdf -rw-rw-r-- root/root 1972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qp2_36r.sdf -rw-rw-r-- root/root 3037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qp3_36q.sdf -rw-rw-r-- root/root 2537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qp4_36o.sdf -rw-rw-r-- root/root 2344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qp7_363.sdf -rw-rw-r-- root/root 3053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qp8_362.sdf -rw-rw-r-- root/root 3392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qp9_35x.sdf -rw-rw-r-- root/root 3850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qpa_35w.sdf -rw-rw-r-- root/root 3053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qpf_39l.sdf -rw-rw-r-- root/root 3682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qpp_36s.sdf -rw-rw-r-- root/root 2382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qqd_36x.sdf -rw-rw-r-- root/root 5055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qqe_37f.sdf -rw-rw-r-- root/root 3470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qqn_3bq.sdf -rw-rw-r-- root/root 6640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qqu_39s.sdf -rw-rw-r-- root/root 3919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qr5_bnm.sdf -rw-rw-r-- root/root 3614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qr6_37v.sdf -rw-rw-r-- root/root 3770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qsi_ewz.sdf -rw-rw-r-- root/root 3433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qsj_eww.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qsm_38k.sdf -rw-rw-r-- root/root 1483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qss_mb3.sdf -rw-rw-r-- root/root 2844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qsw_38t.sdf -rw-rw-r-- root/root 2673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qsx_38s.sdf -rw-rw-r-- root/root 4516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qt0_38q.sdf -rw-rw-r-- root/root 3798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qt1_3c9.sdf -rw-rw-r-- root/root 5891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qtb_38z.sdf -rw-rw-r-- root/root 4753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qte_390.sdf -rw-rw-r-- root/root 6279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qvx_3cq.sdf -rw-rw-r-- root/root 4159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qw9_0g4.sdf -rw-rw-r-- root/root 3473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qwa_0g8.sdf -rw-rw-r-- root/root 3523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qwb_yyy.sdf -rw-rw-r-- root/root 4015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qwd_3tt.sdf -rw-rw-r-- root/root 3625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qwe_ftd.sdf -rw-rw-r-- root/root 2846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qx4_3e2.sdf -rw-rw-r-- root/root 3488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qxi_i98.sdf -rw-rw-r-- root/root 3738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qxm_713.sdf -rw-rw-r-- root/root 3124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qxo_1ye.sdf -rw-rw-r-- root/root 4236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qxs_wc1.sdf -rw-rw-r-- root/root 3212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qye_3dl.sdf -rw-rw-r-- root/root 3346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qyf_3dv.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qyg_3dw.sdf -rw-rw-r-- root/root 3908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qyh_3dx.sdf -rw-rw-r-- root/root 4713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qyy_3g7.sdf -rw-rw-r-- root/root 3092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4qzu_rtl.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r06_3e7.sdf -rw-rw-r-- root/root 5045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r0i_3km.sdf -rw-rw-r-- root/root 1834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r1q_sst.sdf -rw-rw-r-- root/root 5046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r1v_3e8.sdf -rw-rw-r-- root/root 4895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r1y_3eh.sdf -rw-rw-r-- root/root 4061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r3c_3gf.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r3m_jr9.sdf -rw-rw-r-- root/root 5512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r4c_3hs.sdf -rw-rw-r-- root/root 5679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r4i_3hv.sdf -rw-rw-r-- root/root 5384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r4o_3hw.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r4q_3hz.sdf -rw-rw-r-- root/root 5404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r4t_3j0.sdf -rw-rw-r-- root/root 3670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r59_3j3.sdf -rw-rw-r-- root/root 3753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r5g_3je.sdf -rw-rw-r-- root/root 2530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r5m_4no.sdf -rw-rw-r-- root/root 3529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r5t_r5t.sdf -rw-rw-r-- root/root 3431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r5v_r5v.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r5x_r5x.sdf -rw-rw-r-- root/root 4988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r5y_3k3.sdf -rw-rw-r-- root/root 4960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r68_w31.sdf -rw-rw-r-- root/root 4383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r69_w13.sdf -rw-rw-r-- root/root 3388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r6a_hb2.sdf -rw-rw-r-- root/root 3533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r6e_3jd.sdf -rw-rw-r-- root/root 2199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r6n_mbg.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r7h_p31.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r8y_3ko.sdf -rw-rw-r-- root/root 4178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r91_3kt.sdf -rw-rw-r-- root/root 4565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r92_3ku.sdf -rw-rw-r-- root/root 4778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r95_3kw.sdf -rw-rw-r-- root/root 2602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r9j_3lj.sdf -rw-rw-r-- root/root 3145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r9r_3kx.sdf -rw-rw-r-- root/root 3382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4r9s_3ky.sdf -rw-rw-r-- root/root 4463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ra4_3kz.sdf -rw-rw-r-- root/root 4437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ra5_3l0.sdf -rw-rw-r-- root/root 4292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rab_3l3.sdf -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rac_3l4.sdf -rw-rw-r-- root/root 4754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rak_652.sdf -rw-rw-r-- root/root 3399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ram_pnm.sdf -rw-rw-r-- root/root 3526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ran_3l6.sdf -rw-rw-r-- root/root 3869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4raq_3l8.sdf -rw-rw-r-- root/root 3019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rbl_3o7.sdf -rw-rw-r-- root/root 3730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rc2_3o8.sdf -rw-rw-r-- root/root 4353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rc3_3oa.sdf -rw-rw-r-- root/root 3693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rc4_3ok.sdf -rw-rw-r-- root/root 2504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rc5_pl3.sdf -rw-rw-r-- root/root 4659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rcd_3ll.sdf -rw-rw-r-- root/root 4350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rce_3ln.sdf -rw-rw-r-- root/root 4647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rcf_3lo.sdf -rw-rw-r-- root/root 3835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rch_3lz.sdf -rw-rw-r-- root/root 1486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rcv_de2.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rdd_3lu.sdf -rw-rw-r-- root/root 4622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4re9_3m9.sdf -rw-rw-r-- root/root 4068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4res_buf.sdf -rw-rw-r-- root/root 3366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rfc_3o1.sdf -rw-rw-r-- root/root 5154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rfm_3p6.sdf -rw-rw-r-- root/root 3450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rfw_3rb.sdf -rw-rw-r-- root/root 6031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rfy_3ou.sdf -rw-rw-r-- root/root 6143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rfz_3ov.sdf -rw-rw-r-- root/root 6323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rg0_3p0.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rg2_3oo.sdf -rw-rw-r-- root/root 1842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rgq_1gp.sdf -rw-rw-r-- root/root 4018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rhu_3qe.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rhu_45t.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rhx_3qf.sdf -rw-rw-r-- root/root 4664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rhy_3qg.sdf -rw-rw-r-- root/root 3125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rio_3qx.sdf -rw-rw-r-- root/root 4338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4riu_3qr.sdf -rw-rw-r-- root/root 4372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4riw_anp.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rj4_3qw.sdf -rw-rw-r-- root/root 4162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rj5_3qy.sdf -rw-rw-r-- root/root 4167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rj6_3r0.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rj7_3r1.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rj8_3qs.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rk8_3rv.sdf -rw-rw-r-- root/root 3870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rka_3ry.sdf -rw-rw-r-- root/root 2277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rkx_3s9.sdf -rw-rw-r-- root/root 2310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rkz_3s4.sdf -rw-rw-r-- root/root 4381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rl0_3s0.sdf -rw-rw-r-- root/root 3807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rl2_3s3.sdf -rw-rw-r-- root/root 3622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rli_3sh.sdf -rw-rw-r-- root/root 3609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rll_e91.sdf -rw-rw-r-- root/root 5259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rlo_3t3.sdf -rw-rw-r-- root/root 5722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rlp_72b.sdf -rw-rw-r-- root/root 3562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rls_49c.sdf -rw-rw-r-- root/root 3141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rlt_fse.sdf -rw-rw-r-- root/root 2853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rlu_hcc.sdf -rw-rw-r-- root/root 3046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rlw_bun.sdf -rw-rw-r-- root/root 3600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rmc_3sv.sdf -rw-rw-r-- root/root 3794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rmd_3sw.sdf -rw-rw-r-- root/root 3771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rme_3t2.sdf -rw-rw-r-- root/root 4097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rmg_3te.sdf -rw-rw-r-- root/root 3615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rmi_3tk.sdf -rw-rw-r-- root/root 4459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rn0_l6g.sdf -rw-rw-r-- root/root 4564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rn1_l8g.sdf -rw-rw-r-- root/root 4569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rn2_l7g.sdf -rw-rw-r-- root/root 4895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rn6_15u.sdf -rw-rw-r-- root/root 3750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rnq_a4s.sdf -rw-rw-r-- root/root 5397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rpk_3ua.sdf -rw-rw-r-- root/root 5420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rpl_3uc.sdf -rw-rw-r-- root/root 2030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rpn_pci.sdf -rw-rw-r-- root/root 1816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rpo_t6c.sdf -rw-rw-r-- root/root 4161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rpq_3uh.sdf -rw-rw-r-- root/root 4300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rpu_3ue.sdf -rw-rw-r-- root/root 4233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rpv_3ur.sdf -rw-rw-r-- root/root 3410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rqk_r1s.sdf -rw-rw-r-- root/root 1930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rql_sne.sdf -rw-rw-r-- root/root 3410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rqv_r2s.sdf -rw-rw-r-- root/root 4749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rr4_3v1.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rrn_3uw.sdf -rw-rw-r-- root/root 4272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rro_3ux.sdf -rw-rw-r-- root/root 3688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rrq_a3s.sdf -rw-rw-r-- root/root 3777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rrr_a3t.sdf -rw-rw-r-- root/root 1916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rrt_3v4.sdf -rw-rw-r-- root/root 3053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rrx_lur.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rsc_a3v.sdf -rw-rw-r-- root/root 3280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rse_a6v.sdf -rw-rw-r-- root/root 3187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rsk_u3p.sdf -rw-rw-r-- root/root 4376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rss_4mg.sdf -rw-rw-r-- root/root 4211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rt2_n6t.sdf -rw-rw-r-- root/root 4212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rt3_c6t.sdf -rw-rw-r-- root/root 5415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rt7_p30.sdf -rw-rw-r-- root/root 5737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rup_h97.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rut_lm8.sdf -rw-rw-r-- root/root 3394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rv6_rpb.sdf -rw-rw-r-- root/root 4226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rv8_i13.sdf -rw-rw-r-- root/root 3545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rvk_3xk.sdf -rw-rw-r-- root/root 3908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rvm_3x7.sdf -rw-rw-r-- root/root 3700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rvr_3wq.sdf -rw-rw-r-- root/root 3232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rvt_3xm.sdf -rw-rw-r-- root/root 4127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rw7_3x6.sdf -rw-rw-r-- root/root 4683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rwk_66t.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rwl_3zc.sdf -rw-rw-r-- root/root 8340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rwv_piz.sdf -rw-rw-r-- root/root 5294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rx5_3yo.sdf -rw-rw-r-- root/root 4160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rx7_3yv.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rx8_3yx.sdf -rw-rw-r-- root/root 5386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rxa_3f2.sdf -rw-rw-r-- root/root 5044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ryc_3zk.sdf -rw-rw-r-- root/root 5034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ryg_3zj.sdf -rw-rw-r-- root/root 3607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ryi_pka.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ryl_3zg.sdf -rw-rw-r-- root/root 2907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ryz_a5v.sdf -rw-rw-r-- root/root 5032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rz1_3zn.sdf -rw-rw-r-- root/root 3705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rzg_zhn.sdf -rw-rw-r-- root/root 3278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rzq_y7y.sdf -rw-rw-r-- root/root 3530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4rzt_40j.sdf -rw-rw-r-- root/root 4187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4s0t_40u.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4s0v_suv.sdf -rw-rw-r-- root/root 4612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4s15_4d8.sdf -rw-rw-r-- root/root 4402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4s1g_43t.sdf -rw-rw-r-- root/root 1726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4s3d_dpo.sdf -rw-rw-r-- root/root 2150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4s3f_43w.sdf -rw-rw-r-- root/root 3397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4sli_cnp.sdf -rw-rw-r-- root/root 3011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4std_bfs.sdf -rw-rw-r-- root/root 3257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tk0_32z.sdf -rw-rw-r-- root/root 4334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tkf_33c.sdf -rw-rw-r-- root/root 1839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tln_lno.sdf -rw-rw-r-- root/root 4729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tmf_js2.sdf -rw-rw-r-- root/root 3789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tn2_33j.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tn6_pfo.sdf -rw-rw-r-- root/root 4669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tor_iw8.sdf -rw-rw-r-- root/root 5684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tos_355.sdf -rw-rw-r-- root/root 4592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tpk_3f9.sdf -rw-rw-r-- root/root 4104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tpm_35e.sdf -rw-rw-r-- root/root 4668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tpp_35d.sdf -rw-rw-r-- root/root 4286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tpt_35h.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tpw_33r.sdf -rw-rw-r-- root/root 4004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tqb_34k.sdf -rw-rw-r-- root/root 4259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tqc_34j.sdf -rw-rw-r-- root/root 2889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tqh_es8.sdf -rw-rw-r-- root/root 3422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tqn_ul4.sdf -rw-rw-r-- root/root 3636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tqp_48r.sdf -rw-rw-r-- root/root 3159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tr9_38d.sdf -rw-rw-r-- root/root 3299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4trj_665.sdf -rw-rw-r-- root/root 4185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tsq_hxg.sdf -rw-rw-r-- root/root 1938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tsq_pc.sdf -rw-rw-r-- root/root 4213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tsy_hxj.sdf -rw-rw-r-- root/root 2787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tte_36z.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tth_24v.sdf -rw-rw-r-- root/root 4823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ttv_bc9.sdf -rw-rw-r-- root/root 3719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tu4_37n.sdf -rw-rw-r-- root/root 6505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tuh_38h.sdf -rw-rw-r-- root/root 2245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tun_mvh.sdf -rw-rw-r-- root/root 2067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tuv_cpz.sdf -rw-rw-r-- root/root 4486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tvj_09l.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tvk_tjh.sdf -rw-rw-r-- root/root 3338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tvy_37r.sdf -rw-rw-r-- root/root 6642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tw6_37l.sdf -rw-rw-r-- root/root 7509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tw7_37k.sdf -rw-rw-r-- root/root 9163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tw8_37m.sdf -rw-rw-r-- root/root 4962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tw9_386.sdf -rw-rw-r-- root/root 4799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4twc_37j.sdf -rw-rw-r-- root/root 2223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4twd_377.sdf -rw-rw-r-- root/root 5209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4twn_b96.sdf -rw-rw-r-- root/root 3763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4two_37w.sdf -rw-rw-r-- root/root 2106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4twt_38a.sdf -rw-rw-r-- root/root 4328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tww_3a7.sdf -rw-rw-r-- root/root 4393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tx0_384.sdf -rw-rw-r-- root/root 2943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tx6_38b.sdf -rw-rw-r-- root/root 4489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4txc_38g.sdf -rw-rw-r-- root/root 3404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4txe_38f.sdf -rw-rw-r-- root/root 4013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ty1_38w.sdf -rw-rw-r-- root/root 4610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ty6_39d.sdf -rw-rw-r-- root/root 4924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ty7_39f.sdf -rw-rw-r-- root/root 2050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ty8_3av.sdf -rw-rw-r-- root/root 2159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tya_3ae.sdf -rw-rw-r-- root/root 2435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tyb_3b1.sdf -rw-rw-r-- root/root 6782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tyd_3eo.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tyh_39g.sdf -rw-rw-r-- root/root 5269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tyj_0li.sdf -rw-rw-r-- root/root 2340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tyl_39o.sdf -rw-rw-r-- root/root 3991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tyo_39x.sdf -rw-rw-r-- root/root 2456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tyt_s3c.sdf -rw-rw-r-- root/root 2784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tz2_39r.sdf -rw-rw-r-- root/root 2405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tz8_39u.sdf -rw-rw-r-- root/root 3412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tzk_641.sdf -rw-rw-r-- root/root 3429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4tzt_468.sdf -rw-rw-r-- root/root 6964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u01_39w.sdf -rw-rw-r-- root/root 3169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u0j_566.sdf -rw-rw-r-- root/root 3425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u0k_744.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u16_3c0.sdf -rw-rw-r-- root/root 3372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u2y_rzm.sdf -rw-rw-r-- root/root 3627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u2z_fmo.sdf -rw-rw-r-- root/root 3983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u31_mvp.sdf -rw-rw-r-- root/root 3735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u3b_3bw.sdf -rw-rw-r-- root/root 4534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u3d_3bx.sdf -rw-rw-r-- root/root 3455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u41_3c8.sdf -rw-rw-r-- root/root 2562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u43_3d8.sdf -rw-rw-r-- root/root 3258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u44_3d9.sdf -rw-rw-r-- root/root 3182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u45_3dc.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u58_3c6.sdf -rw-rw-r-- root/root 3466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u5j_rxt.sdf -rw-rw-r-- root/root 3356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u5l_3d6.sdf -rw-rw-r-- root/root 6062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u5n_3d4.sdf -rw-rw-r-- root/root 3355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u5o_3d5.sdf -rw-rw-r-- root/root 5784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u5s_3d0.sdf -rw-rw-r-- root/root 3354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u5u_3d2.sdf -rw-rw-r-- root/root 3274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u5v_rh2.sdf -rw-rw-r-- root/root 1984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u69_q07.sdf -rw-rw-r-- root/root 3974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u6a_3dn.sdf -rw-rw-r-- root/root 2216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u6c_q06.sdf -rw-rw-r-- root/root 2203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u6q_3cr.sdf -rw-rw-r-- root/root 5755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u6r_3e4.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u6w_q08.sdf -rw-rw-r-- root/root 2212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u70_q04.sdf -rw-rw-r-- root/root 2098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u71_q03.sdf -rw-rw-r-- root/root 2088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u73_q02.sdf -rw-rw-r-- root/root 5479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u79_3el.sdf -rw-rw-r-- root/root 5058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u7v_3en.sdf -rw-rw-r-- root/root 3900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u7z_3ew.sdf -rw-rw-r-- root/root 3885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u80_3ex.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u81_3ey.sdf -rw-rw-r-- root/root 3423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u84_15p.sdf -rw-rw-r-- root/root 5510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u8w_g10.sdf -rw-rw-r-- root/root 3397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u8z_3fe.sdf -rw-rw-r-- root/root 3012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u91_3f7.sdf -rw-rw-r-- root/root 4059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u93_990.sdf -rw-rw-r-- root/root 4730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4u96_lmt.sdf -rw-rw-r-- root/root 7480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uag_uag.sdf -rw-rw-r-- root/root 3121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uai_3gg.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ual_3fv.sdf -rw-rw-r-- root/root 2758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uau_xbp.sdf -rw-rw-r-- root/root 3374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uba_3g5.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ubt_3g6.sdf -rw-rw-r-- root/root 5464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uc1_pp9.sdf -rw-rw-r-- root/root 5346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uc1_z0p.sdf -rw-rw-r-- root/root 3013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ucc_zkw.sdf -rw-rw-r-- root/root 2898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ucd_m81.sdf -rw-rw-r-- root/root 2887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uce_mzs.sdf -rw-rw-r-- root/root 3399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uco_d41.sdf -rw-rw-r-- root/root 2425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ucr_jcf.sdf -rw-rw-r-- root/root 2341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ucs_9mj.sdf -rw-rw-r-- root/root 2900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ucs_iwh.sdf -rw-rw-r-- root/root 2510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uct_5u1.sdf -rw-rw-r-- root/root 2310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ucu_8hc.sdf -rw-rw-r-- root/root 2407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ucv_i6g.sdf -rw-rw-r-- root/root 1734 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ud9_fqi.sdf -rw-rw-r-- root/root 1713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ud9_tys.sdf -rw-rw-r-- root/root 4625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4udb_cv7.sdf -rw-rw-r-- root/root 3981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4udw_n6l.sdf -rw-rw-r-- root/root 4300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uee_la9.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uef_tje.sdf -rw-rw-r-- root/root 4874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uez_lff.sdf -rw-rw-r-- root/root 3314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uf0_mmk.sdf -rw-rw-r-- root/root 5316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ufd_s49.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ufe_3zd.sdf -rw-rw-r-- root/root 5022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uff_6v2.sdf -rw-rw-r-- root/root 5247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ufg_d6j.sdf -rw-rw-r-- root/root 1865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ufh_gif.sdf -rw-rw-r-- root/root 1919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ufi_agk.sdf -rw-rw-r-- root/root 2069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ufj_if7.sdf -rw-rw-r-- root/root 1757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ufk_ldu.sdf -rw-rw-r-- root/root 2145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ufl_dzx.sdf -rw-rw-r-- root/root 3251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ufu_2zi.sdf -rw-rw-r-- root/root 2916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ufy_m3w.sdf -rw-rw-r-- root/root 3406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ufz_ia7.sdf -rw-rw-r-- root/root 4935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ug2_ngi.sdf -rw-rw-r-- root/root 5799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ug5_hem.sdf -rw-rw-r-- root/root 3754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ug5_xfk.sdf -rw-rw-r-- root/root 3733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ug6_xfj.sdf -rw-rw-r-- root/root 4209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ug9_1ew.sdf -rw-rw-r-- root/root 3544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ugc_1q6.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uge_q15.sdf -rw-rw-r-- root/root 3289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ugh_4v4.sdf -rw-rw-r-- root/root 3299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ugi_sko.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ugj_q1t.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ugk_7s9.sdf -rw-rw-r-- root/root 3679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ugl_s90.sdf -rw-rw-r-- root/root 3333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ugn_h49.sdf -rw-rw-r-- root/root 3206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ugt_ugt.sdf -rw-rw-r-- root/root 4996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ugu_pqw.sdf -rw-rw-r-- root/root 4038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ugw_hw1.sdf -rw-rw-r-- root/root 3291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ugy_exi.sdf -rw-rw-r-- root/root 3761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uh2_s84.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uh9_s85.sdf -rw-rw-r-- root/root 5504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uhi_vfv.sdf -rw-rw-r-- root/root 3131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ui3_06r.sdf -rw-rw-r-- root/root 4079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ui4_rjn.sdf -rw-rw-r-- root/root 3028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ui5_bj4.sdf -rw-rw-r-- root/root 3378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ui6_ecz.sdf -rw-rw-r-- root/root 2922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ui7_vt3.sdf -rw-rw-r-- root/root 3273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ui8_iy5.sdf -rw-rw-r-- root/root 4117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uia_fh9.sdf -rw-rw-r-- root/root 4785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uib_gwx.sdf -rw-rw-r-- root/root 4568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uit_n1d.sdf -rw-rw-r-- root/root 4525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uiv_xzb.sdf -rw-rw-r-- root/root 4649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uiw_h1b.sdf -rw-rw-r-- root/root 4486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uix_tvu.sdf -rw-rw-r-- root/root 4536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uiy_5v2.sdf -rw-rw-r-- root/root 3679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uj1_nvx.sdf -rw-rw-r-- root/root 3678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uj2_nvv.sdf -rw-rw-r-- root/root 4024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uj9_s3n.sdf -rw-rw-r-- root/root 3570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uja_4l7.sdf -rw-rw-r-- root/root 3676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ujb_8bq.sdf -rw-rw-r-- root/root 2514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4um1_09p.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ump_5qm.sdf -rw-rw-r-- root/root 4203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4umq_b5s.sdf -rw-rw-r-- root/root 3036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4umr_qbb.sdf -rw-rw-r-- root/root 4104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4umt_47w.sdf -rw-rw-r-- root/root 3617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4umu_0v0.sdf -rw-rw-r-- root/root 3803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4umx_vvs.sdf -rw-rw-r-- root/root 4620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4umz_xjo.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4unn_qzz.sdf -rw-rw-r-- root/root 2439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4unp_txw.sdf -rw-rw-r-- root/root 3432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4unq_h6d.sdf -rw-rw-r-- root/root 4365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4unr_qze.sdf -rw-rw-r-- root/root 3870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uns_qz3.sdf -rw-rw-r-- root/root 4564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4upj_u04.sdf -rw-rw-r-- root/root 4940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4upn_7ln.sdf -rw-rw-r-- root/root 4951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4upq_i5u.sdf -rw-rw-r-- root/root 5247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ups_6e5.sdf -rw-rw-r-- root/root 5876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uqh_25s.sdf -rw-rw-r-- root/root 2447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uqr_nrg.sdf -rw-rw-r-- root/root 3692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ur9_oan.sdf -rw-rw-r-- root/root 2337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ura_lel.sdf -rw-rw-r-- root/root 4263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4urk_a82.sdf -rw-rw-r-- root/root 8709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4urm_xam.sdf -rw-rw-r-- root/root 2653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uru_6w2.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4urv_umk.sdf -rw-rw-r-- root/root 3257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4urw_dxo.sdf -rw-rw-r-- root/root 1824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4urx_fk1.sdf -rw-rw-r-- root/root 2180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4urx_hxy.sdf -rw-rw-r-- root/root 1560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4us8_hbx.sdf -rw-rw-r-- root/root 4781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4use_r09.sdf -rw-rw-r-- root/root 3374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4usf_6ui.sdf -rw-rw-r-- root/root 1667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4utr_gua.sdf -rw-rw-r-- root/root 2900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4utu_lry.sdf -rw-rw-r-- root/root 2187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4utv_fsl.sdf -rw-rw-r-- root/root 2934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4utw_rfw.sdf -rw-rw-r-- root/root 1396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4utx_3np.sdf -rw-rw-r-- root/root 1789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4utz_0l1.sdf -rw-rw-r-- root/root 1615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uu7_jo3.sdf -rw-rw-r-- root/root 1719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uu8_woc.sdf -rw-rw-r-- root/root 1975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uub_su8.sdf -rw-rw-r-- root/root 3603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uuh_t40.sdf -rw-rw-r-- root/root 9202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uv8_d69.sdf -rw-rw-r-- root/root 8608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uv9_d70.sdf -rw-rw-r-- root/root 8460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uva_d73.sdf -rw-rw-r-- root/root 8236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uvb_d51.sdf -rw-rw-r-- root/root 9007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uvc_d52.sdf -rw-rw-r-- root/root 4129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uvd_hrw.sdf -rw-rw-r-- root/root 2076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uve_ki5.sdf -rw-rw-r-- root/root 2809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uvg_a0c.sdf -rw-rw-r-- root/root 2205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uvh_uud.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uvi_kxu.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uvn_cdj.sdf -rw-rw-r-- root/root 3021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uvo_5ww.sdf -rw-rw-r-- root/root 5866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uvr_j5y.sdf -rw-rw-r-- root/root 3506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uvu_u1t.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uvv_w8l.sdf -rw-rw-r-- root/root 2891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uvw_nyj.sdf -rw-rw-r-- root/root 2914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uvx_h2w.sdf -rw-rw-r-- root/root 3014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uvy_sgw.sdf -rw-rw-r-- root/root 3056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uw1_92r.sdf -rw-rw-r-- root/root 5863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uw3_50g.sdf -rw-rw-r-- root/root 8686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uw4_4s0.sdf -rw-rw-r-- root/root 11709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uw6_vv7.sdf -rw-rw-r-- root/root 3602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uwb_jvt.sdf -rw-rw-r-- root/root 3450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uwc_4y0.sdf -rw-rw-r-- root/root 4159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uwf_eut.sdf -rw-rw-r-- root/root 3926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uwg_rbq.sdf -rw-rw-r-- root/root 4305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uwh_jxm.sdf -rw-rw-r-- root/root 4229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uwi_xmq.sdf -rw-rw-r-- root/root 4484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uwj_7l5.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uwk_ujb.sdf -rw-rw-r-- root/root 4088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uwl_7a5.sdf -rw-rw-r-- root/root 2963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ux4_e9l.sdf -rw-rw-r-- root/root 3365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ux6_ywo.sdf -rw-rw-r-- root/root 4206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uxl_5p8.sdf -rw-rw-r-- root/root 6338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uxu_mlk.sdf -rw-rw-r-- root/root 2471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uy1_tjm.sdf -rw-rw-r-- root/root 4118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uye_9f9.sdf -rw-rw-r-- root/root 4364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uyg_73b.sdf -rw-rw-r-- root/root 4721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uyh_9s3.sdf -rw-rw-r-- root/root 4805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uyn_y3m.sdf -rw-rw-r-- root/root 4895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uzd_qmn.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4uzh_jve.sdf -rw-rw-r-- root/root 3800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4v0i_j82.sdf -rw-rw-r-- root/root 4581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4v24_gyr.sdf -rw-rw-r-- root/root 3471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4v3v_s8f.sdf -rw-rw-r-- root/root 3582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4v3x_4e8.sdf -rw-rw-r-- root/root 3587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4v3y_hlw.sdf -rw-rw-r-- root/root 2825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4vgc_srd.sdf -rw-rw-r-- root/root 3965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w1o_3gj.sdf -rw-rw-r-- root/root 4429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w4v_3h8.sdf -rw-rw-r-- root/root 4294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w4w_3hj.sdf -rw-rw-r-- root/root 4428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w4x_3hn.sdf -rw-rw-r-- root/root 4424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w4y_3hq.sdf -rw-rw-r-- root/root 2938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w5b_3h5.sdf -rw-rw-r-- root/root 3529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w5c_3h6.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w5c_3h7.sdf -rw-rw-r-- root/root 3624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w5s_3j1.sdf -rw-rw-r-- root/root 4566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w63_htb.sdf -rw-rw-r-- root/root 4721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w6e_3j5.sdf -rw-rw-r-- root/root 3638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w7p_3j7.sdf -rw-rw-r-- root/root 3183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w8d_3ja.sdf -rw-rw-r-- root/root 4167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w8e_3jb.sdf -rw-rw-r-- root/root 11134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w93_3l9.sdf -rw-rw-r-- root/root 5355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w9o_3jq.sdf -rw-rw-r-- root/root 5356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w9p_3jr.sdf -rw-rw-r-- root/root 5084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w9q_3jp.sdf -rw-rw-r-- root/root 2951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w9s_3k1.sdf -rw-rw-r-- root/root 3718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w9x_3jw.sdf -rw-rw-r-- root/root 2295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4w9y_3k0.sdf -rw-rw-r-- root/root 3983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wa9_axi.sdf -rw-rw-r-- root/root 3272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wag_3k7.sdf -rw-rw-r-- root/root 3288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wbo_anw.sdf -rw-rw-r-- root/root 4513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wcu_3kq.sdf -rw-rw-r-- root/root 2863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wdt_wdt.sdf -rw-rw-r-- root/root 3070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wdu_wdu.sdf -rw-rw-r-- root/root 2821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wdw_wdw.sdf -rw-rw-r-- root/root 3163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wdx_wdx.sdf -rw-rw-r-- root/root 4204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4we1_3lq.sdf -rw-rw-r-- root/root 4346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wet_wef.sdf -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wev_suz.sdf -rw-rw-r-- root/root 3332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wey_eg6.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wf4_wf4.sdf -rw-rw-r-- root/root 2814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wf6_407.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wh5_3qb.sdf -rw-rw-r-- root/root 1842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wh7_8h8.sdf -rw-rw-r-- root/root 2690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wh9_3m8.sdf -rw-rw-r-- root/root 2010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4whq_3n9.sdf -rw-rw-r-- root/root 1811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4whr_3nj.sdf -rw-rw-r-- root/root 1703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4whs_3n8.sdf -rw-rw-r-- root/root 4788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4whu_3ot.sdf -rw-rw-r-- root/root 4852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4whz_3nl.sdf -rw-rw-r-- root/root 3965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wi1_3o6.sdf -rw-rw-r-- root/root 3844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wiv_3p2.sdf -rw-rw-r-- root/root 3214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wk7_3pq.sdf -rw-rw-r-- root/root 3229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wkb_tdi.sdf -rw-rw-r-- root/root 3842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wke_3pu.sdf -rw-rw-r-- root/root 4160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wkh_cbs.sdf -rw-rw-r-- root/root 3959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wki_3pw.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wko_hce.sdf -rw-rw-r-- root/root 3906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wkp_3qa.sdf -rw-rw-r-- root/root 1939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wkv_3qk.sdf -rw-rw-r-- root/root 4561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wlb_3qq.sdf -rw-rw-r-- root/root 4210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wlk_3ql.sdf -rw-rw-r-- root/root 3299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wml_ppc.sdf -rw-rw-r-- root/root 6242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wmr_865.sdf -rw-rw-r-- root/root 4419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wn1_3sj.sdf -rw-rw-r-- root/root 3372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wn3_3r3.sdf -rw-rw-r-- root/root 5142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wnk_453.sdf -rw-rw-r-- root/root 4622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wnm_3rt.sdf -rw-rw-r-- root/root 3894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wno_3rf.sdf -rw-rw-r-- root/root 4262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wnp_3rj.sdf -rw-rw-r-- root/root 2833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wns_3rl.sdf -rw-rw-r-- root/root 3734 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wnt_ajn.sdf -rw-rw-r-- root/root 3551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wnu_qdn.sdf -rw-rw-r-- root/root 3567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wnv_qi9.sdf -rw-rw-r-- root/root 3886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wo5_324.sdf -rw-rw-r-- root/root 2292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4woh_4np.sdf -rw-rw-r-- root/root 5128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wot_3sg.sdf -rw-rw-r-- root/root 3942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wov_3sm.sdf -rw-rw-r-- root/root 4440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wp7_3sr.sdf -rw-rw-r-- root/root 2066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wpd_3sq.sdf -rw-rw-r-- root/root 4310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wpf_3sn.sdf -rw-rw-r-- root/root 1589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wpl_ura.sdf -rw-rw-r-- root/root 3990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wpn_3st.sdf -rw-rw-r-- root/root 2600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wq3_3su.sdf -rw-rw-r-- root/root 4352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wq6_3tq.sdf -rw-rw-r-- root/root 2069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wqj_36y.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wqp_3sx.sdf -rw-rw-r-- root/root 2775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wr7_3tv.sdf -rw-rw-r-- root/root 3236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wr8_3tx.sdf -rw-rw-r-- root/root 3831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wrb_3tw.sdf -rw-rw-r-- root/root 1526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wrh_yy1.sdf -rw-rw-r-- root/root 3024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wrh_yy2.sdf -rw-rw-r-- root/root 4509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wrs_3u1.sdf -rw-rw-r-- root/root 1734 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ws2_6ua.sdf -rw-rw-r-- root/root 1961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ws4_5nu.sdf -rw-rw-r-- root/root 1738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ws6_wbu.sdf -rw-rw-r-- root/root 1747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ws7_5uc.sdf -rw-rw-r-- root/root 1635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ws8_tul.sdf -rw-rw-r-- root/root 3608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wsy_3u5.sdf -rw-rw-r-- root/root 6667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wt2_3ud.sdf -rw-rw-r-- root/root 3886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wt6_3u6.sdf -rw-rw-r-- root/root 3649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wtc_cdp.sdf -rw-rw-r-- root/root 3797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wtf_5gs.sdf -rw-rw-r-- root/root 3820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wtg_6gs.sdf -rw-rw-r-- root/root 4684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wtu_3ut.sdf -rw-rw-r-- root/root 3584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wua_3ul.sdf -rw-rw-r-- root/root 2309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wup_3uf.sdf -rw-rw-r-- root/root 3019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wuq_3ug.sdf -rw-rw-r-- root/root 5693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wuy_3uj.sdf -rw-rw-r-- root/root 8195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wvd_ivm.sdf -rw-rw-r-- root/root 6217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wvl_3us.sdf -rw-rw-r-- root/root 4094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wvo_3uz.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ww8_vd9.sdf -rw-rw-r-- root/root 4082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wwn_3vc.sdf -rw-rw-r-- root/root 4222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wwo_3vd.sdf -rw-rw-r-- root/root 4236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wwp_3ve.sdf -rw-rw-r-- root/root 3072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wxf_plg.sdf -rw-rw-r-- root/root 3413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wxg_2bo.sdf -rw-rw-r-- root/root 5672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wxh_3vl.sdf -rw-rw-r-- root/root 4858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wxi_3vm.sdf -rw-rw-r-- root/root 4304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wxr_3vz.sdf -rw-rw-r-- root/root 4908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wy3_3x5.sdf -rw-rw-r-- root/root 4262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wyo_3w2.sdf -rw-rw-r-- root/root 4145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wz8_3w7.sdf -rw-rw-r-- root/root 2214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4wzc_1uc.sdf -rw-rw-r-- root/root 2094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x0m_3wa.sdf -rw-rw-r-- root/root 3337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x1g_3wf.sdf -rw-rw-r-- root/root 2864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x1g_3wg.sdf -rw-rw-r-- root/root 1799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x1r_pl0.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x1y_loc.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x21_3wh.sdf -rw-rw-r-- root/root 2978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x2a_3wl.sdf -rw-rw-r-- root/root 2910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x2f_3wj.sdf -rw-rw-r-- root/root 2915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x2g_3wk.sdf -rw-rw-r-- root/root 3443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x2i_3x0.sdf -rw-rw-r-- root/root 2918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x2j_3wn.sdf -rw-rw-r-- root/root 2917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x2k_3wo.sdf -rw-rw-r-- root/root 1370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x2p_3py.sdf -rw-rw-r-- root/root 3577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x2u_tod.sdf -rw-rw-r-- root/root 1489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x36_cht.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x3c_tnh.sdf -rw-rw-r-- root/root 4570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x3j_3wr.sdf -rw-rw-r-- root/root 6552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x3o_3y0.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x3p_3lx.sdf -rw-rw-r-- root/root 6894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x3r_686.sdf -rw-rw-r-- root/root 4026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x3t_45e.sdf -rw-rw-r-- root/root 4126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x4l_3xg.sdf -rw-rw-r-- root/root 4346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x5p_3xj.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x5q_3xn.sdf -rw-rw-r-- root/root 4662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x5r_3xo.sdf -rw-rw-r-- root/root 5490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x5y_3xw.sdf -rw-rw-r-- root/root 4629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x5z_3xy.sdf -rw-rw-r-- root/root 4055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x60_3xv.sdf -rw-rw-r-- root/root 4694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x6e_42h.sdf -rw-rw-r-- root/root 7105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x6f_3xu.sdf -rw-rw-r-- root/root 3397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x6h_3xt.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x6i_3y1.sdf -rw-rw-r-- root/root 5224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x6m_3y3.sdf -rw-rw-r-- root/root 5586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x6n_3y5.sdf -rw-rw-r-- root/root 5683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x6o_3y4.sdf -rw-rw-r-- root/root 5475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x6p_3yu.sdf -rw-rw-r-- root/root 5231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x6t_3y6.sdf -rw-rw-r-- root/root 4920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x6x_s74.sdf -rw-rw-r-- root/root 3632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x6y_s94.sdf -rw-rw-r-- root/root 5707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x7h_3z2.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x7i_3ys.sdf -rw-rw-r-- root/root 4781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x7j_3z1.sdf -rw-rw-r-- root/root 5604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x7k_3z3.sdf -rw-rw-r-- root/root 5380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x7l_3z4.sdf -rw-rw-r-- root/root 5335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x7n_3z5.sdf -rw-rw-r-- root/root 8528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x7x_3zp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x86_cps.sdf -rw-rw-r-- root/root 4938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x8c_3yz.sdf -rw-rw-r-- root/root 2386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x8e_avj.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x8g_3z0.sdf -rw-rw-r-- root/root 1814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x8s_3z7.sdf -rw-rw-r-- root/root 2104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x8t_3z8.sdf -rw-rw-r-- root/root 2204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x8u_3zb.sdf -rw-rw-r-- root/root 6270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4x8v_3z9.sdf -rw-rw-r-- root/root 3870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xad_3zw.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xaq_40f.sdf -rw-rw-r-- root/root 2587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xas_40h.sdf -rw-rw-r-- root/root 5576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xb5_45d.sdf -rw-rw-r-- root/root 3056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xdg_3zu.sdf -rw-rw-r-- root/root 2977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xdh_3zv.sdf -rw-rw-r-- root/root 2210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xdl_40d.sdf -rw-rw-r-- root/root 5341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xdm_gdm.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xe0_40l.sdf -rw-rw-r-- root/root 3163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xew_40n.sdf -rw-rw-r-- root/root 4778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xg3_x3g.sdf -rw-rw-r-- root/root 4649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xg4_x4g.sdf -rw-rw-r-- root/root 3901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xg6_x6g.sdf -rw-rw-r-- root/root 4147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xg7_x7g.sdf -rw-rw-r-- root/root 4287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xg8_x8g.sdf -rw-rw-r-- root/root 4401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xg9_x9g.sdf -rw-rw-r-- root/root 3244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xh6_hul.sdf -rw-rw-r-- root/root 1521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xhb_17y.sdf -rw-rw-r-- root/root 4018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xhk_3yr.sdf -rw-rw-r-- root/root 5111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xii_40v.sdf -rw-rw-r-- root/root 3573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xiq_40y.sdf -rw-rw-r-- root/root 4053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xir_40x.sdf -rw-rw-r-- root/root 4401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xit_40z.sdf -rw-rw-r-- root/root 4408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xj0_41b.sdf -rw-rw-r-- root/root 2587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xjj_41d.sdf -rw-rw-r-- root/root 3506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xjl_41f.sdf -rw-rw-r-- root/root 4079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xjm_41e.sdf -rw-rw-r-- root/root 3591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xjo_41o.sdf -rw-rw-r-- root/root 2448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xjo_plp.sdf -rw-rw-r-- root/root 2978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xjw_opx.sdf -rw-rw-r-- root/root 5195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xkb_de9.sdf -rw-rw-r-- root/root 5230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xkc_md9.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xkx_43k.sdf -rw-rw-r-- root/root 4210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xly_ecp.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xm6_41r.sdf -rw-rw-r-- root/root 3624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xm7_41s.sdf -rw-rw-r-- root/root 3619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xm8_41t.sdf -rw-rw-r-- root/root 5556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xmb_41p.sdf -rw-rw-r-- root/root 4395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xmo_46g.sdf -rw-rw-r-- root/root 1510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xmt_dpp.sdf -rw-rw-r-- root/root 1251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xn9_bal.sdf -rw-rw-r-- root/root 1943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xna_b3k.sdf -rw-rw-r-- root/root 2189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xnb_3fb.sdf -rw-rw-r-- root/root 2595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xnd_ht7.sdf -rw-rw-r-- root/root 4375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xnv_bur.sdf -rw-rw-r-- root/root 4236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xnw_2id.sdf -rw-rw-r-- root/root 1982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xoy_dx4.sdf -rw-rw-r-- root/root 1986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xp0_42a.sdf -rw-rw-r-- root/root 2197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xp2_tt4.sdf -rw-rw-r-- root/root 2239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xqg_1ps.sdf -rw-rw-r-- root/root 3250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xrj_620.sdf -rw-rw-r-- root/root 3766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xry_si5.sdf -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xrz_si6.sdf -rw-rw-r-- root/root 4599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xs2_42p.sdf -rw-rw-r-- root/root 2043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xsm_tlz.sdf -rw-rw-r-- root/root 4651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xt9_43v.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xua_43c.sdf -rw-rw-r-- root/root 3896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xub_43d.sdf -rw-rw-r-- root/root 2976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xuc_43g.sdf -rw-rw-r-- root/root 3364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xud_43h.sdf -rw-rw-r-- root/root 3110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xue_43j.sdf -rw-rw-r-- root/root 3551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xuh_sfi.sdf -rw-rw-r-- root/root 5692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xui_2vc.sdf -rw-rw-r-- root/root 4973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xv1_904.sdf -rw-rw-r-- root/root 4817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xv2_p06.sdf -rw-rw-r-- root/root 4348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xv3_p02.sdf -rw-rw-r-- root/root 4710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xv9_1oo.sdf -rw-rw-r-- root/root 3844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xvd_wdv.sdf -rw-rw-r-- root/root 4303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xve_wds.sdf -rw-rw-r-- root/root 4327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xw2_sim.sdf -rw-rw-r-- root/root 5695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xwa_43n.sdf -rw-rw-r-- root/root 2766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xwk_4c8.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xwy_43o.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xx3_70x.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xx4_70y.sdf -rw-rw-r-- root/root 3212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xx5_43r.sdf -rw-rw-r-- root/root 3612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xx9_rf4.sdf -rw-rw-r-- root/root 4452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xy2_490.sdf -rw-rw-r-- root/root 2895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xy8_43u.sdf -rw-rw-r-- root/root 4617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xyf_44x.sdf -rw-rw-r-- root/root 2936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xyx_43z.sdf -rw-rw-r-- root/root 3211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xz4_456.sdf -rw-rw-r-- root/root 3421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xzh_48i.sdf -rw-rw-r-- root/root 1695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xzk_ag2.sdf -rw-rw-r-- root/root 3645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4xzl_f49.sdf -rw-rw-r-- root/root 2847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y0p_te4.sdf -rw-rw-r-- root/root 3027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y0q_px9.sdf -rw-rw-r-- root/root 2369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y13_480.sdf -rw-rw-r-- root/root 3696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y14_c0a.sdf -rw-rw-r-- root/root 2441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y15_482.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y29_cti.sdf -rw-rw-r-- root/root 4270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y2a_1fs.sdf -rw-rw-r-- root/root 3274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y2b_epk.sdf -rw-rw-r-- root/root 2551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y2j_49g.sdf -rw-rw-r-- root/root 2429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y2p_3c5.sdf -rw-rw-r-- root/root 2535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y2q_49n.sdf -rw-rw-r-- root/root 2300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y2r_49o.sdf -rw-rw-r-- root/root 2530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y2s_49p.sdf -rw-rw-r-- root/root 2733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y2t_49q.sdf -rw-rw-r-- root/root 2810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y2u_49r.sdf -rw-rw-r-- root/root 2239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y2v_4a5.sdf -rw-rw-r-- root/root 3174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y2x_4a0.sdf -rw-rw-r-- root/root 2675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y2y_49z.sdf -rw-rw-r-- root/root 1743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y32_49f.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y34_45z.sdf -rw-rw-r-- root/root 1922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y36_45l.sdf -rw-rw-r-- root/root 2039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y37_45j.sdf -rw-rw-r-- root/root 2567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y39_45m.sdf -rw-rw-r-- root/root 2963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y3a_45o.sdf -rw-rw-r-- root/root 2554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y3d_45n.sdf -rw-rw-r-- root/root 2046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y3f_78b.sdf -rw-rw-r-- root/root 2056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y3g_463.sdf -rw-rw-r-- root/root 2050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y3m_45y.sdf -rw-rw-r-- root/root 2402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y3n_45v.sdf -rw-rw-r-- root/root 2052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y3p_46s.sdf -rw-rw-r-- root/root 2322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y3t_46h.sdf -rw-rw-r-- root/root 2323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y3t_46j.sdf -rw-rw-r-- root/root 2078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y3w_46q.sdf -rw-rw-r-- root/root 2225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y3x_46p.sdf -rw-rw-r-- root/root 2476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y41_46o.sdf -rw-rw-r-- root/root 2439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y43_46t.sdf -rw-rw-r-- root/root 1962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y44_46y.sdf -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y46_4f2.sdf -rw-rw-r-- root/root 3036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y47_479.sdf -rw-rw-r-- root/root 1933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y4a_47g.sdf -rw-rw-r-- root/root 2033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y4b_47h.sdf -rw-rw-r-- root/root 2203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y4e_46r.sdf -rw-rw-r-- root/root 2089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y4j_lnr.sdf -rw-rw-r-- root/root 2222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y4t_46x.sdf -rw-rw-r-- root/root 2200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y4u_46v.sdf -rw-rw-r-- root/root 1743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y4w_46w.sdf -rw-rw-r-- root/root 2806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y4x_47q.sdf -rw-rw-r-- root/root 2157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y50_47s.sdf -rw-rw-r-- root/root 1938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y51_47a.sdf -rw-rw-r-- root/root 2662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y53_47b.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y58_47l.sdf -rw-rw-r-- root/root 3015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y59_t21.sdf -rw-rw-r-- root/root 1956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y5a_47m.sdf -rw-rw-r-- root/root 2961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y5b_47p.sdf -rw-rw-r-- root/root 2541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y5c_47v.sdf -rw-rw-r-- root/root 3019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y5d_mt6.sdf -rw-rw-r-- root/root 2469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y5e_47t.sdf -rw-rw-r-- root/root 2779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y5g_47u.sdf -rw-rw-r-- root/root 4033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y5h_519.sdf -rw-rw-r-- root/root 1963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y5k_489.sdf -rw-rw-r-- root/root 2834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y5m_47y.sdf -rw-rw-r-- root/root 2924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y5n_487.sdf -rw-rw-r-- root/root 2565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y5p_483.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y62_48e.sdf -rw-rw-r-- root/root 3630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y63_48o.sdf -rw-rw-r-- root/root 3336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y64_48c.sdf -rw-rw-r-- root/root 3169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y67_rc5.sdf -rw-rw-r-- root/root 4300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y6d_48u.sdf -rw-rw-r-- root/root 6239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y6m_48q.sdf -rw-rw-r-- root/root 3276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y6p_r77.sdf -rw-rw-r-- root/root 6765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y6q_omr.sdf -rw-rw-r-- root/root 2819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y6r_rf7.sdf -rw-rw-r-- root/root 2950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y6s_48s.sdf -rw-rw-r-- root/root 4790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y71_48w.sdf -rw-rw-r-- root/root 3744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y72_lz9.sdf -rw-rw-r-- root/root 4294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y73_xpy.sdf -rw-rw-r-- root/root 4205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y79_4o6.sdf -rw-rw-r-- root/root 4585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y7a_987.sdf -rw-rw-r-- root/root 1814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y7f_48x.sdf -rw-rw-r-- root/root 5065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y7g_upg.sdf -rw-rw-r-- root/root 3587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y7u_491.sdf -rw-rw-r-- root/root 3394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y83_49b.sdf -rw-rw-r-- root/root 3539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y85_499.sdf -rw-rw-r-- root/root 3696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y86_49d.sdf -rw-rw-r-- root/root 3684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y86_49e.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y8d_49j.sdf -rw-rw-r-- root/root 5699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y8x_4gr.sdf -rw-rw-r-- root/root 5961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y8y_4d5.sdf -rw-rw-r-- root/root 6262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y8z_4ce.sdf -rw-rw-r-- root/root 5711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y93_746.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y9b_mks.sdf -rw-rw-r-- root/root 4040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y9e_mkt.sdf -rw-rw-r-- root/root 4241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4y9g_mku.sdf -rw-rw-r-- root/root 5961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ya8_49w.sdf -rw-rw-r-- root/root 2713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yab_4cn.sdf -rw-rw-r-- root/root 3743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yad_4a7.sdf -rw-rw-r-- root/root 3515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yat_4a8.sdf -rw-rw-r-- root/root 4314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yax_4ae.sdf -rw-rw-r-- root/root 4576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yay_zd7.sdf -rw-rw-r-- root/root 2327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yb4_48y.sdf -rw-rw-r-- root/root 5877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ybj_4a9.sdf -rw-rw-r-- root/root 5458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ybm_4bj.sdf -rw-rw-r-- root/root 4815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ybs_4bk.sdf -rw-rw-r-- root/root 4994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ybt_4bv.sdf -rw-rw-r-- root/root 2467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yc0_5of.sdf -rw-rw-r-- root/root 5152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yc8_4b7.sdf -rw-rw-r-- root/root 5926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yc9_4c1.sdf -rw-rw-r-- root/root 5929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ycm_7bs.sdf -rw-rw-r-- root/root 4463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ycn_7bl.sdf -rw-rw-r-- root/root 3232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ycu_krs.sdf -rw-rw-r-- root/root 2553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ycy_4ao.sdf -rw-rw-r-- root/root 4513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yd0_4ew.sdf -rw-rw-r-- root/root 2913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yd3_4aq.sdf -rw-rw-r-- root/root 2222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yd5_4av.sdf -rw-rw-r-- root/root 3423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yde_4c7.sdf -rw-rw-r-- root/root 5945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ydf_4b1.sdf -rw-rw-r-- root/root 5451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ydg_g3g.sdf -rw-rw-r-- root/root 3162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ydm_4aj.sdf -rw-rw-r-- root/root 3628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ydn_2wn.sdf -rw-rw-r-- root/root 10769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yef_4cq.sdf -rw-rw-r-- root/root 4033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yff_4cv.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yfi_4cw.sdf -rw-rw-r-- root/root 4069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yh3_y80.sdf -rw-rw-r-- root/root 3589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yh4_y81.sdf -rw-rw-r-- root/root 3891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yhj_an2.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yht_4ef.sdf -rw-rw-r-- root/root 4733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yih_2o2.sdf -rw-rw-r-- root/root 2426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yil_4d3.sdf -rw-rw-r-- root/root 2925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yj2_4ed.sdf -rw-rw-r-- root/root 1706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yjf_98b.sdf -rw-rw-r-- root/root 1935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yjg_4dd.sdf -rw-rw-r-- root/root 1961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yjh_96b.sdf -rw-rw-r-- root/root 4437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yjo_4df.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yjp_4dl.sdf -rw-rw-r-- root/root 4592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yjq_4dk.sdf -rw-rw-r-- root/root 4346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yjr_4dj.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yjs_4dn.sdf -rw-rw-r-- root/root 4414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yjt_4dq.sdf -rw-rw-r-- root/root 4307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yju_4do.sdf -rw-rw-r-- root/root 4606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yjv_4dt.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yk0_98.sdf -rw-rw-r-- root/root 5247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yk5_4dv.sdf -rw-rw-r-- root/root 4280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ykt_4eq.sdf -rw-rw-r-- root/root 3967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yl0_4dz.sdf -rw-rw-r-- root/root 4372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yl1_4u8.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yl3_4u9.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ylj_4e1.sdf -rw-rw-r-- root/root 3297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ylk_4e2.sdf -rw-rw-r-- root/root 3293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yll_4e3.sdf -rw-rw-r-- root/root 4193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ylu_r30.sdf -rw-rw-r-- root/root 3998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ylw_52y.sdf -rw-rw-r-- root/root 2819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yma_4e5.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ymb_4e7.sdf -rw-rw-r-- root/root 3589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ymj_4ej.sdf -rw-rw-r-- root/root 3145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yml_4f0.sdf -rw-rw-r-- root/root 5450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ymq_zbd.sdf -rw-rw-r-- root/root 3723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ynb_4eh.sdf -rw-rw-r-- root/root 2294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ync_4eg.sdf -rw-rw-r-- root/root 5336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ynd_4gq.sdf -rw-rw-r-- root/root 3896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yne_4ek.sdf -rw-rw-r-- root/root 5258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ynk_yw2.sdf -rw-rw-r-- root/root 1798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yo4_4ft.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yo6_4gd.sdf -rw-rw-r-- root/root 3033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yo8_4ez.sdf -rw-rw-r-- root/root 4930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yog_4f5.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yoi_4f4.sdf -rw-rw-r-- root/root 4640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yoj_rfm.sdf -rw-rw-r-- root/root 5982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yp1_2ba.sdf -rw-rw-r-- root/root 4995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yp8_4gf.sdf -rw-rw-r-- root/root 1468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ypd_dkg.sdf -rw-rw-r-- root/root 4222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yps_4f6.sdf -rw-rw-r-- root/root 2648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ypw_4fd.sdf -rw-rw-r-- root/root 1829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ypx_4fg.sdf -rw-rw-r-- root/root 1944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ypy_4f9.sdf -rw-rw-r-- root/root 1944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ypz_4fl.sdf -rw-rw-r-- root/root 2684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yq0_4fm.sdf -rw-rw-r-- root/root 4417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yq1_4fn.sdf -rw-rw-r-- root/root 4322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yq2_efy.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yq3_4g1.sdf -rw-rw-r-- root/root 2773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yq4_4g3.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yq5_4g0.sdf -rw-rw-r-- root/root 2887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yq6_4fx.sdf -rw-rw-r-- root/root 3011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yq7_4g4.sdf -rw-rw-r-- root/root 2510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yq8_4fv.sdf -rw-rw-r-- root/root 2426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yq9_4go.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqa_4gn.sdf -rw-rw-r-- root/root 2773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqb_4gm.sdf -rw-rw-r-- root/root 2616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqc_efw.sdf -rw-rw-r-- root/root 4089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqd_4gz.sdf -rw-rw-r-- root/root 2576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqg_4gy.sdf -rw-rw-r-- root/root 3348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqh_4f7.sdf -rw-rw-r-- root/root 3161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqi_4gx.sdf -rw-rw-r-- root/root 2571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqj_4gt.sdf -rw-rw-r-- root/root 2452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqk_4gs.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yql_4h4.sdf -rw-rw-r-- root/root 2888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqn_4h3.sdf -rw-rw-r-- root/root 2963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqo_4h1.sdf -rw-rw-r-- root/root 3362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqp_4h6.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqq_4h7.sdf -rw-rw-r-- root/root 2459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqr_4hq.sdf -rw-rw-r-- root/root 2566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqs_4h9.sdf -rw-rw-r-- root/root 2565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yqt_4h8.sdf -rw-rw-r-- root/root 2192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yr7_a1b.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yrz_a2b.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ys1_4g7.sdf -rw-rw-r-- root/root 3898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ys7_4gk.sdf -rw-rw-r-- root/root 4938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yt6_4jy.sdf -rw-rw-r-- root/root 5280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yt7_4k1.sdf -rw-rw-r-- root/root 3720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ytc_4hw.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ytf_4hz.sdf -rw-rw-r-- root/root 4163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yth_467.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yti_vjk.sdf -rw-rw-r-- root/root 1944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ytq_tgd.sdf -rw-rw-r-- root/root 1982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yts_tgs.sdf -rw-rw-r-- root/root 1948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ytt_pud.sdf -rw-rw-r-- root/root 1619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ytu_ler.sdf -rw-rw-r-- root/root 2906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yu2_4h5.sdf -rw-rw-r-- root/root 5807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yur_4j7.sdf -rw-rw-r-- root/root 3409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yv5_pe4.sdf -rw-rw-r-- root/root 10618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yv5_svr.sdf -rw-rw-r-- root/root 3131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yvc_4kh.sdf -rw-rw-r-- root/root 3373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yve_4kk.sdf -rw-rw-r-- root/root 5194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yvf_xfa.sdf -rw-rw-r-- root/root 4733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yvx_gmr.sdf -rw-rw-r-- root/root 4742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yw6_g0p.sdf -rw-rw-r-- root/root 10520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yw7_4j0.sdf -rw-rw-r-- root/root 1846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yw9_1wd.sdf -rw-rw-r-- root/root 10077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ywa_4j9.sdf -rw-rw-r-- root/root 1342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ywb_oxd.sdf -rw-rw-r-- root/root 2999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yyl_4kn.sdf -rw-rw-r-- root/root 3748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yyz_4jx.sdf -rw-rw-r-- root/root 3785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yz7_9ar.sdf -rw-rw-r-- root/root 4243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yz9_4k7.sdf -rw-rw-r-- root/root 5666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yzm_4k4.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yzn_4k5.sdf -rw-rw-r-- root/root 3853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4yzu_4k6.sdf -rw-rw-r-- root/root 2189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z02_4k8.sdf -rw-rw-r-- root/root 4270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z0k_4ln.sdf -rw-rw-r-- root/root 4486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z0l_4la.sdf -rw-rw-r-- root/root 3463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z1e_df5.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z1f_h71.sdf -rw-rw-r-- root/root 6042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z1h_4kp.sdf -rw-rw-r-- root/root 3515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z1k_4kb.sdf -rw-rw-r-- root/root 3315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z1n_4kd.sdf -rw-rw-r-- root/root 4297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z1q_558.sdf -rw-rw-r-- root/root 4245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z22_4kg.sdf -rw-rw-r-- root/root 5105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z2b_4lc.sdf -rw-rw-r-- root/root 6707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z2g_m6v.sdf -rw-rw-r-- root/root 6493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z2h_m6a.sdf -rw-rw-r-- root/root 6601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z2i_m6b.sdf -rw-rw-r-- root/root 6816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z2j_m6g.sdf -rw-rw-r-- root/root 7030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z2k_m6e.sdf -rw-rw-r-- root/root 6226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z2l_m6f.sdf -rw-rw-r-- root/root 5225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z34_on7.sdf -rw-rw-r-- root/root 5547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z35_on9.sdf -rw-rw-r-- root/root 5229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z36_on3.sdf -rw-rw-r-- root/root 2479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z3k_4kl.sdf -rw-rw-r-- root/root 3496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z3v_4l6.sdf -rw-rw-r-- root/root 5547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z55_4lo.sdf -rw-rw-r-- root/root 3035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z6h_4l2.sdf -rw-rw-r-- root/root 4723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z6i_4l3.sdf -rw-rw-r-- root/root 3505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z7h_4l5.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z7m_4l9.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z8d_4lb.sdf -rw-rw-r-- root/root 4398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z93_4ld.sdf -rw-rw-r-- root/root 1829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z9a_pms.sdf -rw-rw-r-- root/root 1929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z9b_b85.sdf -rw-rw-r-- root/root 4816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4z9l_880.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4za7_4lv.sdf -rw-rw-r-- root/root 4876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4za7_fzz.sdf -rw-rw-r-- root/root 2513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4za8_f5c.sdf -rw-rw-r-- root/root 1933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zaa_4m4.sdf -rw-rw-r-- root/root 2073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zab_4lw.sdf -rw-rw-r-- root/root 4833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zae_4m1.sdf -rw-rw-r-- root/root 1829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zaf_4lr.sdf -rw-rw-r-- root/root 5032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zau_yy3.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zav_4ls.sdf -rw-rw-r-- root/root 1984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zbc_glc.sdf -rw-rw-r-- root/root 4291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zbf_4m7.sdf -rw-rw-r-- root/root 4047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zbi_4m6.sdf -rw-rw-r-- root/root 2167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zcw_4ng.sdf -rw-rw-r-- root/root 3676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ze0_vor.sdf -rw-rw-r-- root/root 6613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ze1_x2n.sdf -rw-rw-r-- root/root 3372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ze3_tpf.sdf -rw-rw-r-- root/root 2606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zea_imi.sdf -rw-rw-r-- root/root 5145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zeg_052.sdf -rw-rw-r-- root/root 3360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zfc_gcz.sdf -rw-rw-r-- root/root 4713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zfi_4nj.sdf -rw-rw-r-- root/root 4521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zfl_4nk.sdf -rw-rw-r-- root/root 4304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zg6_4ny.sdf -rw-rw-r-- root/root 5113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zg7_4o0.sdf -rw-rw-r-- root/root 3546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zg7_nkn.sdf -rw-rw-r-- root/root 4284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zg9_4o2.sdf -rw-rw-r-- root/root 3727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zga_4o3.sdf -rw-rw-r-- root/root 4565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zgk_4nx.sdf -rw-rw-r-- root/root 5004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zh8_4o4.sdf -rw-rw-r-- root/root 4190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zha_4o5.sdf -rw-rw-r-- root/root 5384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zhc_tc2.sdf -rw-rw-r-- root/root 804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zhc_th.sdf -rw-rw-r-- root/root 3014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zhd_4oz.sdf -rw-rw-r-- root/root 809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zhd_4pu.sdf -rw-rw-r-- root/root 7032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zhf_4ol.sdf -rw-rw-r-- root/root 803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zhf_zcm.sdf -rw-rw-r-- root/root 806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zhg_am.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zhk_a8v.sdf -rw-rw-r-- root/root 4939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zhx_4o7.sdf -rw-rw-r-- root/root 3798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zhx_c1v.sdf -rw-rw-r-- root/root 3034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zhz_4p8.sdf -rw-rw-r-- root/root 3464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zi1_kb0.sdf -rw-rw-r-- root/root 2309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zi4_dvg.sdf -rw-rw-r-- root/root 2972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zij_sfq.sdf -rw-rw-r-- root/root 4431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zim_4ok.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zjc_4ot.sdf -rw-rw-r-- root/root 4652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zjr_4p3.sdf -rw-rw-r-- root/root 2870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zjt_4p6.sdf -rw-rw-r-- root/root 4343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zjw_4p1.sdf -rw-rw-r-- root/root 2867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zk1_4p7.sdf -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zk5_4p4.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zk6_ntm.sdf -rw-rw-r-- root/root 6924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zkl_jb6.sdf -rw-rw-r-- root/root 3760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zl1_18x.sdf -rw-rw-r-- root/root 5937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zls_g61.sdf -rw-rw-r-- root/root 2296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zly_4ru.sdf -rw-rw-r-- root/root 3127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zlz_4rv.sdf -rw-rw-r-- root/root 3599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zmg_4r5.sdf -rw-rw-r-- root/root 4393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zn9_obh.sdf -rw-rw-r-- root/root 4492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4znh_obc.sdf -rw-rw-r-- root/root 4492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zns_ofb.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4znt_obb.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4znu_4q9.sdf -rw-rw-r-- root/root 4593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4znv_4q7.sdf -rw-rw-r-- root/root 4492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4znw_obm.sdf -rw-rw-r-- root/root 3369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zof_59l.sdf -rw-rw-r-- root/root 3025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zoj_61l.sdf -rw-rw-r-- root/root 3245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zok_62l.sdf -rw-rw-r-- root/root 5006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zom_4q3.sdf -rw-rw-r-- root/root 4865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zon_4q1.sdf -rw-rw-r-- root/root 4190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zop_4q2.sdf -rw-rw-r-- root/root 3115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zp5_4qg.sdf -rw-rw-r-- root/root 4635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zpg_4qf.sdf -rw-rw-r-- root/root 4774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zql_4qh.sdf -rw-rw-r-- root/root 3944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zqn_4qo.sdf -rw-rw-r-- root/root 4101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zqo_q67.sdf -rw-rw-r-- root/root 5975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zqp_kp3.sdf -rw-rw-r-- root/root 3101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zqt_4qp.sdf -rw-rw-r-- root/root 5117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zr5_rdf.sdf -rw-rw-r-- root/root 2864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zr6_4qw.sdf -rw-rw-r-- root/root 2218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zru_ti9.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zs0_4qv.sdf -rw-rw-r-- root/root 3565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zs2_flu.sdf -rw-rw-r-- root/root 3714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zs3_a4f.sdf -rw-rw-r-- root/root 4647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zsa_4ut.sdf -rw-rw-r-- root/root 3310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zsh_4xw.sdf -rw-rw-r-- root/root 3912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zsw_rw2.sdf -rw-rw-r-- root/root 5624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zte_4rl.sdf -rw-rw-r-- root/root 5027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ztf_x2p.sdf -rw-rw-r-- root/root 4908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ztj_4rt.sdf -rw-rw-r-- root/root 4227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ztl_4s1.sdf -rw-rw-r-- root/root 4392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ztm_4s2.sdf -rw-rw-r-- root/root 4164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ztn_4s3.sdf -rw-rw-r-- root/root 3792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ztq_4rm.sdf -rw-rw-r-- root/root 4665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4ztr_4rj.sdf -rw-rw-r-- root/root 4894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zts_4rk.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zu0_c5p.sdf -rw-rw-r-- root/root 1827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zu6_oas.sdf -rw-rw-r-- root/root 4489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zud_olm.sdf -rw-rw-r-- root/root 1943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zul_un1.sdf -rw-rw-r-- root/root 2628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zum_fks.sdf -rw-rw-r-- root/root 1921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zun_ss9.sdf -rw-rw-r-- root/root 2273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zuo_xs6.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zup_5xa.sdf -rw-rw-r-- root/root 1807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zuq_6xa.sdf -rw-rw-r-- root/root 1917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zur_7xa.sdf -rw-rw-r-- root/root 3396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zvi_4s4.sdf -rw-rw-r-- root/root 3428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zvk_et.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zvl_ao.sdf -rw-rw-r-- root/root 4647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zvv_gn0.sdf -rw-rw-r-- root/root 2893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zvz_4tf.sdf -rw-rw-r-- root/root 3599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zw1_4v1.sdf -rw-rw-r-- root/root 3055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zw3_4s9.sdf -rw-rw-r-- root/root 3610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zw5_4sa.sdf -rw-rw-r-- root/root 3658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zw6_4sy.sdf -rw-rw-r-- root/root 3992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zw7_4sz.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zw8_4t2.sdf -rw-rw-r-- root/root 4014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zwi_62i.sdf -rw-rw-r-- root/root 4026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zx1_5l3.sdf -rw-rw-r-- root/root 2441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zx2_4te.sdf -rw-rw-r-- root/root 2965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zx3_4tk.sdf -rw-rw-r-- root/root 3895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zx4_4tl.sdf -rw-rw-r-- root/root 3435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zx5_4tm.sdf -rw-rw-r-- root/root 4032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zx6_4u6.sdf -rw-rw-r-- root/root 5656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zxx_4t0.sdf -rw-rw-r-- root/root 4748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zxy_4t1.sdf -rw-rw-r-- root/root 5275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zy3_k67.sdf -rw-rw-r-- root/root 3694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zy4_4t3.sdf -rw-rw-r-- root/root 3575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zy5_4t5.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zyb_4sq.sdf -rw-rw-r-- root/root 5187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zyc_4ss.sdf -rw-rw-r-- root/root 6301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zyf_4t4.sdf -rw-rw-r-- root/root 5414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zyi_4th.sdf -rw-rw-r-- root/root 3167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zyr_9pg.sdf -rw-rw-r-- root/root 4602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zyt_3y9.sdf -rw-rw-r-- root/root 4587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zyu_3ya.sdf -rw-rw-r-- root/root 4521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zyv_g71.sdf -rw-rw-r-- root/root 4416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zyw_g94.sdf -rw-rw-r-- root/root 4515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zyx_3yb.sdf -rw-rw-r-- root/root 4525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zyy_3yc.sdf -rw-rw-r-- root/root 4121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zyz_3yd.sdf -rw-rw-r-- root/root 4227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zz0_3ye.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zz1_3yf.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zz2_3yg.sdf -rw-rw-r-- root/root 4412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zz3_4dw.sdf -rw-rw-r-- root/root 4895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zzh_4to.sdf -rw-rw-r-- root/root 4976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zzj_4tq.sdf -rw-rw-r-- root/root 3609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zzn_cq8.sdf -rw-rw-r-- root/root 4026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zzy_d7n.sdf -rw-rw-r-- root/root 2803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/4zzz_fsu.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a09_jjd.sdf -rw-rw-r-- root/root 4162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a0a_jjs.sdf -rw-rw-r-- root/root 5458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a0b_jjx.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a0c_jjv.sdf -rw-rw-r-- root/root 2181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a1g_ppk.sdf -rw-rw-r-- root/root 4167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a1g_s7m.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a1l_s2i.sdf -rw-rw-r-- root/root 5325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a2m_wx5.sdf -rw-rw-r-- root/root 3943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a2s_otf.sdf -rw-rw-r-- root/root 3078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a3u_r8j.sdf -rw-rw-r-- root/root 2343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a3x_qiv.sdf -rw-rw-r-- root/root 4957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a4c_xoj.sdf -rw-rw-r-- root/root 2453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a4e_7qq.sdf -rw-rw-r-- root/root 2344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a4l_zc3.sdf -rw-rw-r-- root/root 2349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a4q_y3l.sdf -rw-rw-r-- root/root 2460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a4t_ajg.sdf -rw-rw-r-- root/root 2583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a54_5pw.sdf -rw-rw-r-- root/root 3529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a5i_xi1.sdf -rw-rw-r-- root/root 3957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a5j_6yf.sdf -rw-rw-r-- root/root 2638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a5n_8ws.sdf -rw-rw-r-- root/root 2080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a5o_j5i.sdf -rw-rw-r-- root/root 2808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a5p_jtf.sdf -rw-rw-r-- root/root 2954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a5q_6xc.sdf -rw-rw-r-- root/root 3898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a5r_np8.sdf -rw-rw-r-- root/root 1849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a5z_wjz.sdf -rw-rw-r-- root/root 4207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a64_v4e.sdf -rw-rw-r-- root/root 2443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a6n_u7e.sdf -rw-rw-r-- root/root 4278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a7b_kmn.sdf -rw-rw-r-- root/root 2244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a7c_5d4.sdf -rw-rw-r-- root/root 2768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a7n_vao.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a7o_7wh.sdf -rw-rw-r-- root/root 3632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a7p_6z1.sdf -rw-rw-r-- root/root 2687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a7q_kch.sdf -rw-rw-r-- root/root 3007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a7s_s2x.sdf -rw-rw-r-- root/root 3723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a7w_35m.sdf -rw-rw-r-- root/root 3952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a80_9cj.sdf -rw-rw-r-- root/root 3939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a81_78j.sdf -rw-rw-r-- root/root 4183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a82_yej.sdf -rw-rw-r-- root/root 4995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a83_yd3.sdf -rw-rw-r-- root/root 3993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a86_d7e.sdf -rw-rw-r-- root/root 3277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a8e_xtk.sdf -rw-rw-r-- root/root 4633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a8x_iuy.sdf -rw-rw-r-- root/root 4876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a8y_vbm.sdf -rw-rw-r-- root/root 4440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5a8z_iul.sdf -rw-rw-r-- root/root 4154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aad_5gx.sdf -rw-rw-r-- root/root 4197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aae_7hd.sdf -rw-rw-r-- root/root 4752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aaf_nl4.sdf -rw-rw-r-- root/root 5252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aag_6f2.sdf -rw-rw-r-- root/root 3779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aal_8l8.sdf -rw-rw-r-- root/root 3733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aap_vny.sdf -rw-rw-r-- root/root 3673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aau_xbr.sdf -rw-rw-r-- root/root 2654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ab9_92o.sdf -rw-rw-r-- root/root 3413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aba_ul7.sdf -rw-rw-r-- root/root 3010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5abe_xqo.sdf -rw-rw-r-- root/root 3009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5abf_xrj.sdf -rw-rw-r-- root/root 3625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5abg_v0n.sdf -rw-rw-r-- root/root 3011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5abh_ywn.sdf -rw-rw-r-- root/root 4950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5abw_wqq.sdf -rw-rw-r-- root/root 3542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5abz_z47.sdf -rw-rw-r-- root/root 4574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5acc_ke9.sdf -rw-rw-r-- root/root 3770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ack_svq.sdf -rw-rw-r-- root/root 4724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ad2_etu.sdf -rw-rw-r-- root/root 3480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ad4_6m8.sdf -rw-rw-r-- root/root 3362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ad6_7m3.sdf -rw-rw-r-- root/root 3366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5adj_m94.sdf -rw-rw-r-- root/root 3125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5adm_9m9.sdf -rw-rw-r-- root/root 3373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5adn_2sn.sdf -rw-rw-r-- root/root 4414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5adq_a95.sdf -rw-rw-r-- root/root 4541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5adr_qs5.sdf -rw-rw-r-- root/root 4562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ads_qns.sdf -rw-rw-r-- root/root 4700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5adt_1tc.sdf -rw-rw-r-- root/root 3550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5adz_kqs.sdf -rw-rw-r-- root/root 3670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ae1_b2z.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ae2_fyc.sdf -rw-rw-r-- root/root 5301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ae3_awb.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ae8_vvx.sdf -rw-rw-r-- root/root 4981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ae9_oko.sdf -rw-rw-r-- root/root 3545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aee_nsq.sdf -rw-rw-r-- root/root 4498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aeh_8ir.sdf -rw-rw-r-- root/root 2855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aen_dp8.sdf -rw-rw-r-- root/root 3656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aep_qup.sdf -rw-rw-r-- root/root 2596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aes_5b0.sdf -rw-rw-r-- root/root 2623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5af9_sjr.sdf -rw-rw-r-- root/root 3731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5afg_p07.sdf -rw-rw-r-- root/root 3026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5afv_jh5.sdf -rw-rw-r-- root/root 1813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5afy_wce.sdf -rw-rw-r-- root/root 4861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5afz_uet.sdf -rw-rw-r-- root/root 2290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ag3_3eb.sdf -rw-rw-r-- root/root 5382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5agt_a2h.sdf -rw-rw-r-- root/root 5938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ah6_c7u.sdf -rw-rw-r-- root/root 5409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ah7_c7j.sdf -rw-rw-r-- root/root 5855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ah9_c7l.sdf -rw-rw-r-- root/root 2298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ahg_y4l.sdf -rw-rw-r-- root/root 2088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ai4_4vy.sdf -rw-rw-r-- root/root 3350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ai9_k78.sdf -rw-rw-r-- root/root 2537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aia_kwb.sdf -rw-rw-r-- root/root 3497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aik_awr.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ais_cwc.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aiv_m1w.sdf -rw-rw-r-- root/root 3972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aix_krx.sdf -rw-rw-r-- root/root 3760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ajv_8r2.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ajw_s6l.sdf -rw-rw-r-- root/root 4709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ajx_fd9.sdf -rw-rw-r-- root/root 3843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ajy_87t.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ajz_mjp.sdf -rw-rw-r-- root/root 4353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ak0_8v1.sdf -rw-rw-r-- root/root 4473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ak2_85z.sdf -rw-rw-r-- root/root 2534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ak5_v2z.sdf -rw-rw-r-- root/root 3766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ake_6n0.sdf -rw-rw-r-- root/root 3132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5akh_6nm.sdf -rw-rw-r-- root/root 2911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aki_6nf.sdf -rw-rw-r-- root/root 2213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5akj_6n4.sdf -rw-rw-r-- root/root 3331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5akl_6n8.sdf -rw-rw-r-- root/root 4083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aks_r3x.sdf -rw-rw-r-- root/root 4079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5akt_r4g.sdf -rw-rw-r-- root/root 4440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5akv_g7g.sdf -rw-rw-r-- root/root 2639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aky_6nj.sdf -rw-rw-r-- root/root 3108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5al0_r3s.sdf -rw-rw-r-- root/root 3190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5al1_gn5.sdf -rw-rw-r-- root/root 3091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5al2_o53.sdf -rw-rw-r-- root/root 3097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5al3_tgw.sdf -rw-rw-r-- root/root 3541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5al5_jl9.sdf -rw-rw-r-- root/root 4320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5al8_d75.sdf -rw-rw-r-- root/root 2550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ald_fcw.sdf -rw-rw-r-- root/root 2187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ale_onr.sdf -rw-rw-r-- root/root 3578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alf_oe1.sdf -rw-rw-r-- root/root 4650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alg_r4n.sdf -rw-rw-r-- root/root 5009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alh_4ua.sdf -rw-rw-r-- root/root 5354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ali_q3b.sdf -rw-rw-r-- root/root 3135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alj_t5j.sdf -rw-rw-r-- root/root 3006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alk_wmr.sdf -rw-rw-r-- root/root 2968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alm_7gm.sdf -rw-rw-r-- root/root 2894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aln_5zm.sdf -rw-rw-r-- root/root 3514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alo_a0j.sdf -rw-rw-r-- root/root 3514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alp_qyd.sdf -rw-rw-r-- root/root 2687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alq_gzp.sdf -rw-rw-r-- root/root 3239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alr_8tm.sdf -rw-rw-r-- root/root 3993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5als_5dq.sdf -rw-rw-r-- root/root 2808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alt_9xz.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alv_6tz.sdf -rw-rw-r-- root/root 3150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alw_jqn.sdf -rw-rw-r-- root/root 2664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alx_dul.sdf -rw-rw-r-- root/root 3222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aly_b7h.sdf -rw-rw-r-- root/root 3515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5alz_xq9.sdf -rw-rw-r-- root/root 2932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5am0_lws.sdf -rw-rw-r-- root/root 4048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5am1_i5t.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5am4_mvj.sdf -rw-rw-r-- root/root 2530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5am5_6nz.sdf -rw-rw-r-- root/root 2810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5am9_p6g.sdf -rw-rw-r-- root/root 3559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5amd_45i.sdf -rw-rw-r-- root/root 1838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ame_pw3.sdf -rw-rw-r-- root/root 2378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5amf_twl.sdf -rw-rw-r-- root/root 3214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5amn_dtq.sdf -rw-rw-r-- root/root 3398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5anq_5yq.sdf -rw-rw-r-- root/root 3494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ant_rje.sdf -rw-rw-r-- root/root 3709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5anu_58t.sdf -rw-rw-r-- root/root 3836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5anv_rgj.sdf -rw-rw-r-- root/root 3352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5anw_9cq.sdf -rw-rw-r-- root/root 2565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aoi_rzh.sdf -rw-rw-r-- root/root 2665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aoj_y0v.sdf -rw-rw-r-- root/root 2863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aok_goh.sdf -rw-rw-r-- root/root 2197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aol_ufv.sdf -rw-rw-r-- root/root 2689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aom_fy8.sdf -rw-rw-r-- root/root 4814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ap2_pwu.sdf -rw-rw-r-- root/root 4571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ap3_au5.sdf -rw-rw-r-- root/root 4436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ap4_o38.sdf -rw-rw-r-- root/root 4093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aph_vyi.sdf -rw-rw-r-- root/root 4806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5apj_76e.sdf -rw-rw-r-- root/root 3423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aqg_zjb.sdf -rw-rw-r-- root/root 2318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aqh_zvo.sdf -rw-rw-r-- root/root 1959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aqj_q88.sdf -rw-rw-r-- root/root 2327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aqn_jg8.sdf -rw-rw-r-- root/root 1935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aqp_1lq.sdf -rw-rw-r-- root/root 2059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aqq_bbw.sdf -rw-rw-r-- root/root 2174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aqr_n8y.sdf -rw-rw-r-- root/root 1949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aqs_1sq.sdf -rw-rw-r-- root/root 3354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aqu_ux0.sdf -rw-rw-r-- root/root 4036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aqv_kc7.sdf -rw-rw-r-- root/root 3113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aqw_5p7.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5aqz_sgv.sdf -rw-rw-r-- root/root 4415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ar0_gb8.sdf -rw-rw-r-- root/root 3874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ar4_sb2.sdf -rw-rw-r-- root/root 4449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ar5_iq7.sdf -rw-rw-r-- root/root 3687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ar7_sr8.sdf -rw-rw-r-- root/root 6098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ar8_xyw.sdf -rw-rw-r-- root/root 4763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5arf_i9h.sdf -rw-rw-r-- root/root 4876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5arg_h41.sdf -rw-rw-r-- root/root 3105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5auu_lu2.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5auy_mri.sdf -rw-rw-r-- root/root 2994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5av0_47x.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5avi_4km.sdf -rw-rw-r-- root/root 4884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5avl_4kq.sdf -rw-rw-r-- root/root 3567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5awa_m8d.sdf -rw-rw-r-- root/root 3846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5awb_m0a.sdf -rw-rw-r-- root/root 3080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5awc_m4d.sdf -rw-rw-r-- root/root 3829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5awd_idq.sdf -rw-rw-r-- root/root 4745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5awj_ysl.sdf -rw-rw-r-- root/root 4310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5awk_yse.sdf -rw-rw-r-- root/root 4297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ax9_4kt.sdf -rw-rw-r-- root/root 2875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5axb_nrn.sdf -rw-rw-r-- root/root 3019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5axc_arj.sdf -rw-rw-r-- root/root 2760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5axd_rbv.sdf -rw-rw-r-- root/root 4589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5axp_4lk.sdf -rw-rw-r-- root/root 5093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5axq_4lp.sdf -rw-rw-r-- root/root 4191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ayg_4lq.sdf -rw-rw-r-- root/root 2192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ayj_mua.sdf -rw-rw-r-- root/root 3480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ayt_l6y.sdf -rw-rw-r-- root/root 2625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5az5_mbl.sdf -rw-rw-r-- root/root 2497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b09_4mx.sdf -rw-rw-r-- root/root 3599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b0x_hck.sdf -rw-rw-r-- root/root 5145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b25_4qj.sdf -rw-rw-r-- root/root 4543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b2v_w06.sdf -rw-rw-r-- root/root 4880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b2x_w0t.sdf -rw-rw-r-- root/root 5885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b2y_w10.sdf -rw-rw-r-- root/root 4472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b41_ysv.sdf -rw-rw-r-- root/root 3880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b4k_6dt.sdf -rw-rw-r-- root/root 5099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b4l_6dw.sdf -rw-rw-r-- root/root 2643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b4o_6dq.sdf -rw-rw-r-- root/root 3935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b59_kto.sdf -rw-rw-r-- root/root 5889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b5b_akx.sdf -rw-rw-r-- root/root 3168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b5f_6f3.sdf -rw-rw-r-- root/root 3116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b5g_6fx.sdf -rw-rw-r-- root/root 2951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b5o_wmm.sdf -rw-rw-r-- root/root 4252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b5p_wnn.sdf -rw-rw-r-- root/root 4245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b7b_nuz.sdf -rw-rw-r-- root/root 3886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b7v_lwj.sdf -rw-rw-r-- root/root 1859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5b8d_6t4.sdf -rw-rw-r-- root/root 3861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bml_4tw.sdf -rw-rw-r-- root/root 3952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bms_4t6.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bne_7p3.sdf -rw-rw-r-- root/root 4237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bnj_4tv.sdf -rw-rw-r-- root/root 3562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bnm_4vk.sdf -rw-rw-r-- root/root 3510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bnr_4vl.sdf -rw-rw-r-- root/root 4797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bns_4vm.sdf -rw-rw-r-- root/root 3804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bo2_7p1.sdf -rw-rw-r-- root/root 3914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bo3_7p2.sdf -rw-rw-r-- root/root 5737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bo9_csf.sdf -rw-rw-r-- root/root 4084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5boc_tsj.sdf -rw-rw-r-- root/root 3313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bod_ttj.sdf -rw-rw-r-- root/root 2741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5boj_4tx.sdf -rw-rw-r-- root/root 3902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5boo_d65.sdf -rw-rw-r-- root/root 2654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bot_4um.sdf -rw-rw-r-- root/root 3019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5boy_4ue.sdf -rw-rw-r-- root/root 2249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bp0_fn1.sdf -rw-rw-r-- root/root 4553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bpa_4uf.sdf -rw-rw-r-- root/root 4290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bpc_f2a.sdf -rw-rw-r-- root/root 4940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bpe_e22.sdf -rw-rw-r-- root/root 2508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bpp_a4z.sdf -rw-rw-r-- root/root 5736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bpy_4uq.sdf -rw-rw-r-- root/root 4431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bq0_4us.sdf -rw-rw-r-- root/root 3110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bqg_4uj.sdf -rw-rw-r-- root/root 4343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bqh_4uk.sdf -rw-rw-r-- root/root 4826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bqi_4ul.sdf -rw-rw-r-- root/root 6103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bqx_4ur.sdf -rw-rw-r-- root/root 3217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5brn_4x2.sdf -rw-rw-r-- root/root 5625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bry_4uy.sdf -rw-rw-r-- root/root 5516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bs4_4ux.sdf -rw-rw-r-- root/root 4263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bs8_mfx.sdf -rw-rw-r-- root/root 3337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bsk_4x7.sdf -rw-rw-r-- root/root 4787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bst_4uu.sdf -rw-rw-r-- root/root 4908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bsu_4uv.sdf -rw-rw-r-- root/root 5024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bsv_4uw.sdf -rw-rw-r-- root/root 4955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bt3_2lo.sdf -rw-rw-r-- root/root 3966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5btd_gfn.sdf -rw-rw-r-- root/root 3741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5btg_lfx.sdf -rw-rw-r-- root/root 4180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5btl_8mx.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bue_4v8.sdf -rw-rw-r-- root/root 3305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bui_4v9.sdf -rw-rw-r-- root/root 3336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5buj_4vb.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bv6_35g.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bvd_4vf.sdf -rw-rw-r-- root/root 4800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bve_4vg.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bvf_4vj.sdf -rw-rw-r-- root/root 2769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bvk_4vc.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bvn_4vd.sdf -rw-rw-r-- root/root 4505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bvo_4ve.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bwb_4vv.sdf -rw-rw-r-- root/root 2548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bwz_xch.sdf -rw-rw-r-- root/root 2305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bx0_4w5.sdf -rw-rw-r-- root/root 3841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bx1_4xa.sdf -rw-rw-r-- root/root 5866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bya_4wz.sdf -rw-rw-r-- root/root 5616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5byb_4wy.sdf -rw-rw-r-- root/root 4814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5byy_4wg.sdf -rw-rw-r-- root/root 4699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5byz_4we.sdf -rw-rw-r-- root/root 2098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzc_4wt.sdf -rw-rw-r-- root/root 2134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bze_68n.sdf -rw-rw-r-- root/root 2133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bze_6bt.sdf -rw-rw-r-- root/root 2213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzf_4x3.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzg_4x6.sdf -rw-rw-r-- root/root 2334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzh_4x1.sdf -rw-rw-r-- root/root 1980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzi_4wu.sdf -rw-rw-r-- root/root 2950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzj_4wn.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzk_4wp.sdf -rw-rw-r-- root/root 2684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzl_4wo.sdf -rw-rw-r-- root/root 3073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzm_4x8.sdf -rw-rw-r-- root/root 2452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzn_4xd.sdf -rw-rw-r-- root/root 2698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzo_4xc.sdf -rw-rw-r-- root/root 2688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzp_4xg.sdf -rw-rw-r-- root/root 3037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzq_4xl.sdf -rw-rw-r-- root/root 3163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzr_4xm.sdf -rw-rw-r-- root/root 3163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzs_4xk.sdf -rw-rw-r-- root/root 2801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5bzt_4xj.sdf -rw-rw-r-- root/root 2320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c0k_4wk.sdf -rw-rw-r-- root/root 2120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c0l_4wj.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c1l_da8.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c1l_gdu.sdf -rw-rw-r-- root/root 4545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c1m_4vo.sdf -rw-rw-r-- root/root 3037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c1q_4yk.sdf -rw-rw-r-- root/root 3365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c1r_51n.sdf -rw-rw-r-- root/root 2104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c1w_4xs.sdf -rw-rw-r-- root/root 4094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c24_4xo.sdf -rw-rw-r-- root/root 4201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c25_639.sdf -rw-rw-r-- root/root 4048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c26_50h.sdf -rw-rw-r-- root/root 5220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c27_50j.sdf -rw-rw-r-- root/root 2118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c28_4xv.sdf -rw-rw-r-- root/root 2464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c29_4xy.sdf -rw-rw-r-- root/root 3097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c2a_4y2.sdf -rw-rw-r-- root/root 3773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c2h_4px.sdf -rw-rw-r-- root/root 4931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c37_4xn.sdf -rw-rw-r-- root/root 5227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c3a_urm.sdf -rw-rw-r-- root/root 2453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c3h_4xe.sdf -rw-rw-r-- root/root 2282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c3k_4xf.sdf -rw-rw-r-- root/root 4014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c4e_4ya.sdf -rw-rw-r-- root/root 3702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c4g_bqr.sdf -rw-rw-r-- root/root 4068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c5e_52m.sdf -rw-rw-r-- root/root 3118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c5p_0e0.sdf -rw-rw-r-- root/root 2989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c5q_g9w.sdf -rw-rw-r-- root/root 4846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c65_y01.sdf -rw-rw-r-- root/root 2983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c7a_4ye.sdf -rw-rw-r-- root/root 2506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c7b_4yd.sdf -rw-rw-r-- root/root 3366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c7c_4yc.sdf -rw-rw-r-- root/root 3156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c7d_4yf.sdf -rw-rw-r-- root/root 3811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c7n_bmf.sdf -rw-rw-r-- root/root 1627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c7v_pyc.sdf -rw-rw-r-- root/root 4450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c83_4yn.sdf -rw-rw-r-- root/root 3773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c84_4yl.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c85_4yo.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c87_4ys.sdf -rw-rw-r-- root/root 2805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c89_4yt.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c8k_4yv.sdf -rw-rw-r-- root/root 4263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c8m_4yw.sdf -rw-rw-r-- root/root 4380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c8n_4yx.sdf -rw-rw-r-- root/root 3687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c8y_pn6.sdf -rw-rw-r-- root/root 4348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c9c_4z5.sdf -rw-rw-r-- root/root 2194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c9r_4yz.sdf -rw-rw-r-- root/root 2461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c9u_4z1.sdf -rw-rw-r-- root/root 2213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c9w_4z3.sdf -rw-rw-r-- root/root 2084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c9x_4z4.sdf -rw-rw-r-- root/root 4067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5c9z_4z2.sdf -rw-rw-r-- root/root 4442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ca0_lxl.sdf -rw-rw-r-- root/root 3156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ca1_nzo.sdf -rw-rw-r-- root/root 1999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cah_4za.sdf -rw-rw-r-- root/root 2462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cak_4z9.sdf -rw-rw-r-- root/root 4021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cal_4z8.sdf -rw-rw-r-- root/root 4191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5can_4zb.sdf -rw-rw-r-- root/root 4145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cao_4zg.sdf -rw-rw-r-- root/root 4119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cap_4zh.sdf -rw-rw-r-- root/root 4198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5caq_4zj.sdf -rw-rw-r-- root/root 4834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cav_4zq.sdf -rw-rw-r-- root/root 4002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cb4_tiv.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cbb_4zf.sdf -rw-rw-r-- root/root 1847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cbi_4zc.sdf -rw-rw-r-- root/root 2063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cbj_4zd.sdf -rw-rw-r-- root/root 3164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cbr_4zk.sdf -rw-rw-r-- root/root 2904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cbs_e42.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cbt_4zl.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cbu_4zm.sdf -rw-rw-r-- root/root 3330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cbv_4zp.sdf -rw-rw-r-- root/root 3099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cbw_4zo.sdf -rw-rw-r-- root/root 2433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cc2_cka.sdf -rw-rw-r-- root/root 2216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cc3_4zu.sdf -rw-rw-r-- root/root 2077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cc5_ico.sdf -rw-rw-r-- root/root 2075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cc6_4zv.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cc9_ddf.sdf -rw-rw-r-- root/root 2957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ccl_4zw.sdf -rw-rw-r-- root/root 5415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ccm_4zx.sdf -rw-rw-r-- root/root 3456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ccn_4zz.sdf -rw-rw-r-- root/root 2776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ccq_502.sdf -rw-rw-r-- root/root 3234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ccr_4zt.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ccs_c4y.sdf -rw-rw-r-- root/root 2336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ccz_50c.sdf -rw-rw-r-- root/root 4031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cdm_54q.sdf -rw-rw-r-- root/root 4062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cdo_50m.sdf -rw-rw-r-- root/root 4058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cdo_53l.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cdo_53m.sdf -rw-rw-r-- root/root 3627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ce1_50k.sdf -rw-rw-r-- root/root 3878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ce3_adp.sdf -rw-rw-r-- root/root 3176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ceh_50p.sdf -rw-rw-r-- root/root 3147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cei_50r.sdf -rw-rw-r-- root/root 4514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ceo_50d.sdf -rw-rw-r-- root/root 3630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cep_50e.sdf -rw-rw-r-- root/root 4143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ceq_50f.sdf -rw-rw-r-- root/root 2393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cew_6mw.sdf -rw-rw-r-- root/root 4171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cf4_50y.sdf -rw-rw-r-- root/root 4440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cf5_50w.sdf -rw-rw-r-- root/root 4105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cf6_50o.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cf8_50v.sdf -rw-rw-r-- root/root 3640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cfb_sy9.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cfw_53w.sdf -rw-rw-r-- root/root 4567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cg4_6uv.sdf -rw-rw-r-- root/root 1965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cga_kp6.sdf -rw-rw-r-- root/root 3002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cgb_51c.sdf -rw-rw-r-- root/root 3150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cgc_51d.sdf -rw-rw-r-- root/root 3255 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cgd_51e.sdf -rw-rw-r-- root/root 1735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cge_51f.sdf -rw-rw-r-- root/root 4468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cgj_51m.sdf -rw-rw-r-- root/root 3310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cgq_f9f.sdf -rw-rw-r-- root/root 2802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5chk_55r.sdf -rw-rw-r-- root/root 3890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ci7_51w.sdf -rw-rw-r-- root/root 2447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ci9_549.sdf -rw-rw-r-- root/root 1926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cic_51r.sdf -rw-rw-r-- root/root 2033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ciy_3dr.sdf -rw-rw-r-- root/root 2874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cj6_51y.sdf -rw-rw-r-- root/root 3547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cjf_520.sdf -rw-rw-r-- root/root 1989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cjm_4wl.sdf -rw-rw-r-- root/root 2574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cjn_52f.sdf -rw-rw-r-- root/root 2956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cks_52l.sdf -rw-rw-r-- root/root 3180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cl0_u5p.sdf -rw-rw-r-- root/root 1938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5clp_42j.sdf -rw-rw-r-- root/root 2204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cna_mma.sdf -rw-rw-r-- root/root 1756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cnk_ggl.sdf -rw-rw-r-- root/root 3079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cnm_52q.sdf -rw-rw-r-- root/root 4026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5coi_55k.sdf -rw-rw-r-- root/root 5484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cok_52u.sdf -rw-rw-r-- root/root 5627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5con_52w.sdf -rw-rw-r-- root/root 5878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5coo_52z.sdf -rw-rw-r-- root/root 5749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cop_53f.sdf -rw-rw-r-- root/root 3082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5coq_tcu.sdf -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5coy_swe.sdf -rw-rw-r-- root/root 3742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cp5_eb0.sdf -rw-rw-r-- root/root 1837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cp9_6o5.sdf -rw-rw-r-- root/root 3734 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cpe_eb2.sdf -rw-rw-r-- root/root 3808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cpf_53k.sdf -rw-rw-r-- root/root 2690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cph_evo.sdf -rw-rw-r-- root/root 1956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cpp_ado.sdf -rw-rw-r-- root/root 3499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cpr_539.sdf -rw-rw-r-- root/root 1858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cq3_53b.sdf -rw-rw-r-- root/root 1825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cq4_53c.sdf -rw-rw-r-- root/root 2400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cq7_53g.sdf -rw-rw-r-- root/root 1809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cq8_ac6.sdf -rw-rw-r-- root/root 3360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cqj_53q.sdf -rw-rw-r-- root/root 3624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cqt_eb3.sdf -rw-rw-r-- root/root 3638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cqu_jrj.sdf -rw-rw-r-- root/root 4041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cr7_5wo.sdf -rw-rw-r-- root/root 3887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5crz_eb7.sdf -rw-rw-r-- root/root 2176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cs6_k82.sdf -rw-rw-r-- root/root 4063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cs8_eb8.sdf -rw-rw-r-- root/root 2402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5csh_54e.sdf -rw-rw-r-- root/root 2752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cso_ctn.sdf -rw-rw-r-- root/root 1821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5csv_gab.sdf -rw-rw-r-- root/root 5414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5csx_54j.sdf -rw-rw-r-- root/root 2881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ct0_54p.sdf -rw-rw-r-- root/root 1600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ct3_54o.sdf -rw-rw-r-- root/root 5034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ct7_55j.sdf -rw-rw-r-- root/root 4236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ctb_57j.sdf -rw-rw-r-- root/root 3990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ctc_57k.sdf -rw-rw-r-- root/root 4372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cte_57l.sdf -rw-rw-r-- root/root 3614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ctl_eb9.sdf -rw-rw-r-- root/root 3388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cto_ntd.sdf -rw-rw-r-- root/root 2464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ctu_54x.sdf -rw-rw-r-- root/root 2302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ctw_55d.sdf -rw-rw-r-- root/root 3885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ctx_55g.sdf -rw-rw-r-- root/root 3193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cty_55h.sdf -rw-rw-r-- root/root 3236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cu0_54r.sdf -rw-rw-r-- root/root 1934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cu2_54g.sdf -rw-rw-r-- root/root 4617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cu4_54s.sdf -rw-rw-r-- root/root 1975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cu8_54t.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cua_54u.sdf -rw-rw-r-- root/root 2757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cub_54v.sdf -rw-rw-r-- root/root 2042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cuc_54w.sdf -rw-rw-r-- root/root 1976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cue_54y.sdf -rw-rw-r-- root/root 2046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cug_tyz.sdf -rw-rw-r-- root/root 1877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cur_bm0.sdf -rw-rw-r-- root/root 2302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cvf_54z.sdf -rw-rw-r-- root/root 2205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cvj_n7i.sdf -rw-rw-r-- root/root 2462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cvu_55b.sdf -rw-rw-r-- root/root 3721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cx9_551.sdf -rw-rw-r-- root/root 6093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cxa_55l.sdf -rw-rw-r-- root/root 4041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cxh_55m.sdf -rw-rw-r-- root/root 1388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cxr_byz.sdf -rw-rw-r-- root/root 5002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cxy_55t.sdf -rw-rw-r-- root/root 3503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cxz_55u.sdf -rw-rw-r-- root/root 3583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cy3_55y.sdf -rw-rw-r-- root/root 3382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5cy9_e0a.sdf -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5czk_57z.sdf -rw-rw-r-- root/root 4104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d0c_e0b.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d10_563.sdf -rw-rw-r-- root/root 3899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d12_g97.sdf -rw-rw-r-- root/root 2940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d1s_56q.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d1t_56r.sdf -rw-rw-r-- root/root 3205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d1u_56p.sdf -rw-rw-r-- root/root 2789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d21_56n.sdf -rw-rw-r-- root/root 3625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d24_l26.sdf -rw-rw-r-- root/root 3953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d25_56m.sdf -rw-rw-r-- root/root 4064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d26_l28.sdf -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d29_5q1.sdf -rw-rw-r-- root/root 6171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d2b_56o.sdf -rw-rw-r-- root/root 2125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d2t_6vp.sdf -rw-rw-r-- root/root 4195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d3h_57g.sdf -rw-rw-r-- root/root 3931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d3j_l33.sdf -rw-rw-r-- root/root 4190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d3l_57f.sdf -rw-rw-r-- root/root 3731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d3n_l40.sdf -rw-rw-r-- root/root 3848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d3p_57e.sdf -rw-rw-r-- root/root 4298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d3r_57c.sdf -rw-rw-r-- root/root 4212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d3s_579.sdf -rw-rw-r-- root/root 3603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d3t_56y.sdf -rw-rw-r-- root/root 3672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d41_57n.sdf -rw-rw-r-- root/root 4053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d45_57p.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d47_l19.sdf -rw-rw-r-- root/root 4704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d48_l96.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d4a_57q.sdf -rw-rw-r-- root/root 1336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d5a_bu1.sdf -rw-rw-r-- root/root 2337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d5q_57o.sdf -rw-rw-r-- root/root 3753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d69_57t.sdf -rw-rw-r-- root/root 2828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d6p_57u.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d6q_57v.sdf -rw-rw-r-- root/root 4842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d6r_en0.sdf -rw-rw-r-- root/root 3984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d7a_58c.sdf -rw-rw-r-- root/root 3830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d7c_57w.sdf -rw-rw-r-- root/root 3543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d7d_57x.sdf -rw-rw-r-- root/root 2862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d7q_4i5.sdf -rw-rw-r-- root/root 4004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d7r_57y.sdf -rw-rw-r-- root/root 2942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d7x_xz8.sdf -rw-rw-r-- root/root 3165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d85_p1t.sdf -rw-rw-r-- root/root 3182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d9f_58g.sdf -rw-rw-r-- root/root 4005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d9k_584.sdf -rw-rw-r-- root/root 2880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d9l_583.sdf -rw-rw-r-- root/root 2075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5d9w_asc.sdf -rw-rw-r-- root/root 4640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5da3_58v.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dab_58w.sdf -rw-rw-r-- root/root 3412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5daq_58d.sdf -rw-rw-r-- root/root 3347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dav_58j.sdf -rw-rw-r-- root/root 3117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5daw_58k.sdf -rw-rw-r-- root/root 3023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dax_58l.sdf -rw-rw-r-- root/root 5254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5db0_58p.sdf -rw-rw-r-- root/root 4868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5db1_58o.sdf -rw-rw-r-- root/root 5082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5db2_58r.sdf -rw-rw-r-- root/root 5723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5db3_58q.sdf -rw-rw-r-- root/root 2068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dbi_xog.sdf -rw-rw-r-- root/root 3340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dbm_58n.sdf -rw-rw-r-- root/root 2449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dch_1yo.sdf -rw-rw-r-- root/root 1937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dcu_teg.sdf -rw-rw-r-- root/root 3985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dcz_59b.sdf -rw-rw-r-- root/root 3791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dd9_59k.sdf -rw-rw-r-- root/root 3918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dda_59m.sdf -rw-rw-r-- root/root 4040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ddb_59q.sdf -rw-rw-r-- root/root 4141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ddc_59v.sdf -rw-rw-r-- root/root 3687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ddd_59x.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dde_5a0.sdf -rw-rw-r-- root/root 1699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ddf_5a1.sdf -rw-rw-r-- root/root 6223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ddl_5au.sdf -rw-rw-r-- root/root 5154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5de1_59d.sdf -rw-rw-r-- root/root 3132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5del_d59.sdf -rw-rw-r-- root/root 4971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dew_59n.sdf -rw-rw-r-- root/root 4872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dey_59t.sdf -rw-rw-r-- root/root 2064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5df1_58x.sdf -rw-rw-r-- root/root 5346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5df9_59j.sdf -rw-rw-r-- root/root 4385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dfd_59e.sdf -rw-rw-r-- root/root 5065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dfp_59u.sdf -rw-rw-r-- root/root 5094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dg5_5b4.sdf -rw-rw-r-- root/root 4283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dg8_dz4.sdf -rw-rw-r-- root/root 1648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dgh_5a3.sdf -rw-rw-r-- root/root 1834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dgi_5a2.sdf -rw-rw-r-- root/root 4832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dgj_v64.sdf -rw-rw-r-- root/root 3611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dgm_59z.sdf -rw-rw-r-- root/root 3337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dgn_59y.sdf -rw-rw-r-- root/root 2898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dgs_5a7.sdf -rw-rw-r-- root/root 5725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dgu_5b7.sdf -rw-rw-r-- root/root 5849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dgw_5b5.sdf -rw-rw-r-- root/root 3936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dh3_5bs.sdf -rw-rw-r-- root/root 2961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dh4_5av.sdf -rw-rw-r-- root/root 4072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dh5_5ay.sdf -rw-rw-r-- root/root 4444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dhg_dgv.sdf -rw-rw-r-- root/root 4065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dhh_dgw.sdf -rw-rw-r-- root/root 2567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dhj_5e5.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dhp_5aq.sdf -rw-rw-r-- root/root 4627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dhq_5ak.sdf -rw-rw-r-- root/root 5144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dhr_5aj.sdf -rw-rw-r-- root/root 4994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dhs_5ag.sdf -rw-rw-r-- root/root 4888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dht_5a9.sdf -rw-rw-r-- root/root 1649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dhu_5a8.sdf -rw-rw-r-- root/root 3146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dhw_5bq.sdf -rw-rw-r-- root/root 3467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5di1_5df.sdf -rw-rw-r-- root/root 4172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dia_5e6.sdf -rw-rw-r-- root/root 3080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5diq_5b9.sdf -rw-rw-r-- root/root 6455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dit_5b8.sdf -rw-rw-r-- root/root 7027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5diu_5bg.sdf -rw-rw-r-- root/root 5145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5div_5bh.sdf -rw-rw-r-- root/root 3420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dj5_gr2.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5djp_5bj.sdf -rw-rw-r-- root/root 3130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5djr_5bk.sdf -rw-rw-r-- root/root 3948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5djv_5bl.sdf -rw-rw-r-- root/root 3009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dk4_5bx.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dk9_5cc.sdf -rw-rw-r-- root/root 4373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dkb_5c9.sdf -rw-rw-r-- root/root 3612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dkc_5bw.sdf -rw-rw-r-- root/root 3793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dke_5c8.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dkg_5c7.sdf -rw-rw-r-- root/root 3899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dkh_5c0.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dkq_5d0.sdf -rw-rw-r-- root/root 3945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dkr_5cz.sdf -rw-rw-r-- root/root 4716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dks_5c6.sdf -rw-rw-r-- root/root 3791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dl1_5c2.sdf -rw-rw-r-- root/root 4133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dl4_5c4.sdf -rw-rw-r-- root/root 4215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dlt_5jk.sdf -rw-rw-r-- root/root 4864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dlw_5d5.sdf -rw-rw-r-- root/root 1629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dlw_nkp.sdf -rw-rw-r-- root/root 4838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dlx_5d2.sdf -rw-rw-r-- root/root 4688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dlz_5d1.sdf -rw-rw-r-- root/root 3438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dmc_5dh.sdf -rw-rw-r-- root/root 4268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dmf_5dg.sdf -rw-rw-r-- root/root 2260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dnl_5dl.sdf -rw-rw-r-- root/root 2259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dnx_5ld.sdf -rw-rw-r-- root/root 4178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dog_5dt.sdf -rw-rw-r-- root/root 3919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5doh_5du.sdf -rw-rw-r-- root/root 4149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dp0_5es.sdf -rw-rw-r-- root/root 4554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dpe_5h8.sdf -rw-rw-r-- root/root 4661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dpf_5h9.sdf -rw-rw-r-- root/root 2194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dpx_l3b.sdf -rw-rw-r-- root/root 2806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dq1_5hl.sdf -rw-rw-r-- root/root 2698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dq2_5ho.sdf -rw-rw-r-- root/root 2190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dq4_5hq.sdf -rw-rw-r-- root/root 1567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dq5_5hs.sdf -rw-rw-r-- root/root 2643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dqe_5e4.sdf -rw-rw-r-- root/root 3874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dqf_cze.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dqi_dcp.sdf -rw-rw-r-- root/root 5268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dqq_66r.sdf -rw-rw-r-- root/root 2330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dr0_5gc.sdf -rw-rw-r-- root/root 2825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dr1_5gj.sdf -rw-rw-r-- root/root 2396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dr3_5gl.sdf -rw-rw-r-- root/root 2003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dr4_5gq.sdf -rw-rw-r-- root/root 2721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dr7_5hj.sdf -rw-rw-r-- root/root 1930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dr8_5g1.sdf -rw-rw-r-- root/root 4590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5drb_5fj.sdf -rw-rw-r-- root/root 2699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5drc_5er.sdf -rw-rw-r-- root/root 2690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dri_5eq.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5drp_5ep.sdf -rw-rw-r-- root/root 4127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5drq_5em.sdf -rw-rw-r-- root/root 4401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5drr_5en.sdf -rw-rw-r-- root/root 4093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5drt_5eg.sdf -rw-rw-r-- root/root 4906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dry_5ek.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dsg_0hk.sdf -rw-rw-r-- root/root 4823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dsx_5ew.sdf -rw-rw-r-- root/root 5431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dsy_uhb.sdf -rw-rw-r-- root/root 4405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dt2_5ev.sdf -rw-rw-r-- root/root 1823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dtj_5g8.sdf -rw-rw-r-- root/root 2920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dtm_5f4.sdf -rw-rw-r-- root/root 2996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dtq_5f6.sdf -rw-rw-r-- root/root 3244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dtr_5f7.sdf -rw-rw-r-- root/root 8565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dtw_5f9.sdf -rw-rw-r-- root/root 4643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5du4_5ff.sdf -rw-rw-r-- root/root 4181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5du6_g59.sdf -rw-rw-r-- root/root 4553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5du8_5fk.sdf -rw-rw-r-- root/root 4790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5duc_g51.sdf -rw-rw-r-- root/root 4873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5due_5fy.sdf -rw-rw-r-- root/root 3602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5duf_g7a.sdf -rw-rw-r-- root/root 4744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dug_5fv.sdf -rw-rw-r-- root/root 4746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5duh_5ft.sdf -rw-rw-r-- root/root 3938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5duw_5go.sdf -rw-rw-r-- root/root 3307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dw0_pls.sdf -rw-rw-r-- root/root 4287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dw1_5gd.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dwg_5g4.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dwi_5g3.sdf -rw-rw-r-- root/root 3495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dwj_5j2.sdf -rw-rw-r-- root/root 4495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dwr_5h7.sdf -rw-rw-r-- root/root 3069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dwv_5j4.sdf -rw-rw-r-- root/root 3988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dx4_e0c.sdf -rw-rw-r-- root/root 4371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dx6_5gy.sdf -rw-rw-r-- root/root 2356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dx7_5h6.sdf -rw-rw-r-- root/root 4375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dxh_5h2.sdf -rw-rw-r-- root/root 3482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dxk_5j1.sdf -rw-rw-r-- root/root 3519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dxm_5j0.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dxq_5hz.sdf -rw-rw-r-- root/root 4059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dxu_5h5.sdf -rw-rw-r-- root/root 4238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dy4_5gn.sdf -rw-rw-r-- root/root 5275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dy5_5gr.sdf -rw-rw-r-- root/root 2449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dy7_5gt.sdf -rw-rw-r-- root/root 2622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dya_5gv.sdf -rw-rw-r-- root/root 3608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dyb_5k2.sdf -rw-rw-r-- root/root 2104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dyc_5gu.sdf -rw-rw-r-- root/root 4104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dyt_5hb.sdf -rw-rw-r-- root/root 1529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dyu_mz0.sdf -rw-rw-r-- root/root 4447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dyw_5hf.sdf -rw-rw-r-- root/root 3961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dyy_5hh.sdf -rw-rw-r-- root/root 2326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dz2_212.sdf -rw-rw-r-- root/root 3474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dzh_5kg.sdf -rw-rw-r-- root/root 3500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5dzi_5kf.sdf -rw-rw-r-- root/root 7416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e0f_5j7.sdf -rw-rw-r-- root/root 4251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e0i_5j6.sdf -rw-rw-r-- root/root 3940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e0w_5ke.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e0x_5kd.sdf -rw-rw-r-- root/root 4554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e13_5j9.sdf -rw-rw-r-- root/root 3837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e14_5kb.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e15_5ka.sdf -rw-rw-r-- root/root 3688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e19_5k7.sdf -rw-rw-r-- root/root 4164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e1c_5k8.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e1e_5jg.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e1g_t8g.sdf -rw-rw-r-- root/root 5339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e1s_5ja.sdf -rw-rw-r-- root/root 3150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e23_l32.sdf -rw-rw-r-- root/root 4311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e29_5jn.sdf -rw-rw-r-- root/root 3592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e29_rq3.sdf -rw-rw-r-- root/root 3944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e2m_v14.sdf -rw-rw-r-- root/root 5044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e2o_5jm.sdf -rw-rw-r-- root/root 2121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e3d_5jl.sdf -rw-rw-r-- root/root 2117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e3g_5jq.sdf -rw-rw-r-- root/root 6106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e41_aul.sdf -rw-rw-r-- root/root 3152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e4a_5jw.sdf -rw-rw-r-- root/root 3158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e4o_l57.sdf -rw-rw-r-- root/root 3029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e4t_mbt.sdf -rw-rw-r-- root/root 3900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e6m_gap.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e73_uo1.sdf -rw-rw-r-- root/root 4519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e74_5kh.sdf -rw-rw-r-- root/root 2945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e78_5kk.sdf -rw-rw-r-- root/root 2329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e7d_5kl.sdf -rw-rw-r-- root/root 4162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e7n_5kr.sdf -rw-rw-r-- root/root 5545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e7v_m7e.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e80_5kp.sdf -rw-rw-r-- root/root 5697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e88_5kt.sdf -rw-rw-r-- root/root 6137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e8a_5ks.sdf -rw-rw-r-- root/root 4322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e8z_5l4.sdf -rw-rw-r-- root/root 1819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e97_npo.sdf -rw-rw-r-- root/root 3073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e9c_5kv.sdf -rw-rw-r-- root/root 2497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e9c_uap.sdf -rw-rw-r-- root/root 1823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e9i_f60.sdf -rw-rw-r-- root/root 1401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e9k_5kx.sdf -rw-rw-r-- root/root 1833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e9l_6ai.sdf -rw-rw-r-- root/root 1612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e9m_bae.sdf -rw-rw-r-- root/root 3590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e9q_5ky.sdf -rw-rw-r-- root/root 3867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e9v_5l0.sdf -rw-rw-r-- root/root 2145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5e9x_5la.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ea3_5nk.sdf -rw-rw-r-- root/root 4406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ea4_5nm.sdf -rw-rw-r-- root/root 5532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ea5_tm3.sdf -rw-rw-r-- root/root 4080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ea6_5np.sdf -rw-rw-r-- root/root 4034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ea7_5no.sdf -rw-rw-r-- root/root 3194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eab_tbx.sdf -rw-rw-r-- root/root 3193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eac_tbq.sdf -rw-rw-r-- root/root 3134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ead_5l9.sdf -rw-rw-r-- root/root 3135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eae_5l8.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eaf_fqc.sdf -rw-rw-r-- root/root 3390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eag_5lu.sdf -rw-rw-r-- root/root 3962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eah_5lz.sdf -rw-rw-r-- root/root 3899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eai_e6a.sdf -rw-rw-r-- root/root 4293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eak_24r.sdf -rw-rw-r-- root/root 4505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eal_5ml.sdf -rw-rw-r-- root/root 4416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eam_5mn.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eap_5mo.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ear_5mq.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eau_fff.sdf -rw-rw-r-- root/root 5026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ebt_5n8.sdf -rw-rw-r-- root/root 4161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ebv_5lr.sdf -rw-rw-r-- root/root 6099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ebv_coa.sdf -rw-rw-r-- root/root 3660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ec4_5lq.sdf -rw-rw-r-- root/root 3250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ec8_5lp.sdf -rw-rw-r-- root/root 4089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ec9_5lo.sdf -rw-rw-r-- root/root 4697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ece_5n2.sdf -rw-rw-r-- root/root 2492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eci_jaa.sdf -rw-rw-r-- root/root 2849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ecv_5m2.sdf -rw-rw-r-- root/root 3735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5edc_5m7.sdf -rw-rw-r-- root/root 3708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ede_5m6.sdf -rw-rw-r-- root/root 4213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5edg_5mg.sdf -rw-rw-r-- root/root 3672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5edh_5mf.sdf -rw-rw-r-- root/root 3703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5edi_5m9.sdf -rw-rw-r-- root/root 3966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5edq_5n3.sdf -rw-rw-r-- root/root 3924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5edr_5n4.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eds_5mt.sdf -rw-rw-r-- root/root 1958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5edt_5mk.sdf -rw-rw-r-- root/root 5528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ee7_5mv.sdf -rw-rw-r-- root/root 4174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eeg_s8m.sdf -rw-rw-r-- root/root 1964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eeh_p9p.sdf -rw-rw-r-- root/root 4510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eg7_mgt.sdf -rw-rw-r-- root/root 3402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ega_gk0.sdf -rw-rw-r-- root/root 5508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5egm_5ny.sdf -rw-rw-r-- root/root 3084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5egr_5nt.sdf -rw-rw-r-- root/root 2526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5egs_5nr.sdf -rw-rw-r-- root/root 4667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5egu_5nq.sdf -rw-rw-r-- root/root 4326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eh0_5nw.sdf -rw-rw-r-- root/root 1585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eh9_hed.sdf -rw-rw-r-- root/root 4268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ehg_5o0.sdf -rw-rw-r-- root/root 3666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ehj_5k5.sdf -rw-rw-r-- root/root 2993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ehl_0sq.sdf -rw-rw-r-- root/root 4453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eho_5o1.sdf -rw-rw-r-- root/root 3457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ehp_5oa.sdf -rw-rw-r-- root/root 6470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ehq_5o2.sdf -rw-rw-r-- root/root 3412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ehr_5od.sdf -rw-rw-r-- root/root 3023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ehy_5o4.sdf -rw-rw-r-- root/root 6457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ehz_5nz.sdf -rw-rw-r-- root/root 3838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ei2_5o7.sdf -rw-rw-r-- root/root 4151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ei4_5nv.sdf -rw-rw-r-- root/root 3813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ei6_5oq.sdf -rw-rw-r-- root/root 4333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ei8_5oe.sdf -rw-rw-r-- root/root 3829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eic_5j5.sdf -rw-rw-r-- root/root 3056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eie_tz2.sdf -rw-rw-r-- root/root 4032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eih_pz5.sdf -rw-rw-r-- root/root 4702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ejm_td5.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ek2_5pj.sdf -rw-rw-r-- root/root 3229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ek3_5pk.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ek4_5pf.sdf -rw-rw-r-- root/root 3797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ek9_5p4.sdf -rw-rw-r-- root/root 3816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ekn_n58.sdf -rw-rw-r-- root/root 3915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eko_n17.sdf -rw-rw-r-- root/root 1854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ekx_2cq.sdf -rw-rw-r-- root/root 5135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5elx_m2a.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ely_5pu.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5elz_3v9.sdf -rw-rw-r-- root/root 1912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5em3_5q0.sdf -rw-rw-r-- root/root 4609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5em5_5q2.sdf -rw-rw-r-- root/root 4386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5em6_5q3.sdf -rw-rw-r-- root/root 4471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5em8_5q4.sdf -rw-rw-r-- root/root 4408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5emj_5qj.sdf -rw-rw-r-- root/root 4138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5emk_5qh.sdf -rw-rw-r-- root/root 4140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eml_5qk.sdf -rw-rw-r-- root/root 4252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5emm_5ql.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5en3_7lu.sdf -rw-rw-r-- root/root 3489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5en4_5q6.sdf -rw-rw-r-- root/root 1931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5enb_5q5.sdf -rw-rw-r-- root/root 2200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5enc_5qd.sdf -rw-rw-r-- root/root 2429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ene_5q8.sdf -rw-rw-r-- root/root 2091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5enf_5q7.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eng_5qn.sdf -rw-rw-r-- root/root 2400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5enh_5qb.sdf -rw-rw-r-- root/root 2339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eni_5qa.sdf -rw-rw-r-- root/root 2332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5enj_5q9.sdf -rw-rw-r-- root/root 4218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5enk_5qv.sdf -rw-rw-r-- root/root 4091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5enm_5qu.sdf -rw-rw-r-- root/root 4138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5enn_5qs.sdf -rw-rw-r-- root/root 4107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eno_5qg.sdf -rw-rw-r-- root/root 5048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5enp_5qf.sdf -rw-rw-r-- root/root 4888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5enq_5qe.sdf -rw-rw-r-- root/root 5011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5enr_mbx.sdf -rw-rw-r-- root/root 4468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ens_rhq.sdf -rw-rw-r-- root/root 4117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eob_5qq.sdf -rw-rw-r-- root/root 3819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eol_5qo.sdf -rw-rw-r-- root/root 3042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ep7_5qr.sdf -rw-rw-r-- root/root 3604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5epb_5qw.sdf -rw-rw-r-- root/root 2130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5epr_5qy.sdf -rw-rw-r-- root/root 2080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eps_5qx.sdf -rw-rw-r-- root/root 2259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eq1_bea.sdf -rw-rw-r-- root/root 2665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eqe_5r8.sdf -rw-rw-r-- root/root 4360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eqg_5re.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eqh_5rf.sdf -rw-rw-r-- root/root 4703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eqi_5rh.sdf -rw-rw-r-- root/root 2890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eqp_5r9.sdf -rw-rw-r-- root/root 4439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eqy_5ra.sdf -rw-rw-r-- root/root 3105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5er4_5rl.sdf -rw-rw-r-- root/root 2224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5erm_210.sdf -rw-rw-r-- root/root 4564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5es1_5rc.sdf -rw-rw-r-- root/root 6569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5esh_1yn.sdf -rw-rw-r-- root/root 2658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eso_isc.sdf -rw-rw-r-- root/root 4769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ess_tog.sdf -rw-rw-r-- root/root 6915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5esu_toi.sdf -rw-rw-r-- root/root 3194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5et4_c3p.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5etb_5ro.sdf -rw-rw-r-- root/root 2070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5etd_5rn.sdf -rw-rw-r-- root/root 4947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eth_5rt.sdf -rw-rw-r-- root/root 3193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5etj_im5.sdf -rw-rw-r-- root/root 3063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5etk_5ru.sdf -rw-rw-r-- root/root 3204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5etl_5rv.sdf -rw-rw-r-- root/root 3059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5etm_5rw.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5etn_5rx.sdf -rw-rw-r-- root/root 3340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eto_5ry.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5etp_5rz.sdf -rw-rw-r-- root/root 3286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5etw_xnl.sdf -rw-rw-r-- root/root 4436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ety_k56.sdf -rw-rw-r-- root/root 3717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eu1_5sw.sdf -rw-rw-r-- root/root 2302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eu9_5tx.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eub_5s7.sdf -rw-rw-r-- root/root 4651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5euq_5s8.sdf -rw-rw-r-- root/root 2359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ev8_3r9.sdf -rw-rw-r-- root/root 906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ev9_5sb.sdf -rw-rw-r-- root/root 2694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eva_5s9.sdf -rw-rw-r-- root/root 2606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5evd_vc2.sdf -rw-rw-r-- root/root 2368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5evk_3c7.sdf -rw-rw-r-- root/root 3812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ew3_5t2.sdf -rw-rw-r-- root/root 4547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ew8_5sf.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ew9_5vc.sdf -rw-rw-r-- root/root 2662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ewa_9bz.sdf -rw-rw-r-- root/root 2746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ewc_5sj.sdf -rw-rw-r-- root/root 2030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ewd_5sh.sdf -rw-rw-r-- root/root 4113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ewf_ctp.sdf -rw-rw-r-- root/root 1927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ewh_5sg.sdf -rw-rw-r-- root/root 4102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ewl_5sl.sdf -rw-rw-r-- root/root 3399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ewm_5sm.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ewv_5sn.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eww_5sk.sdf -rw-rw-r-- root/root 5054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5exa_5so.sdf -rw-rw-r-- root/root 4884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5exl_5ss.sdf -rw-rw-r-- root/root 4949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5exm_5st.sdf -rw-rw-r-- root/root 5676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5exn_5su.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5exo_5sy.sdf -rw-rw-r-- root/root 4177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eyc_5sz.sdf -rw-rw-r-- root/root 4748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eyd_5t1.sdf -rw-rw-r-- root/root 4857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eym_5u5.sdf -rw-rw-r-- root/root 3494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5eyr_5t0.sdf -rw-rw-r-- root/root 3155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ezg_5t4.sdf -rw-rw-r-- root/root 3154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ezh_841.sdf -rw-rw-r-- root/root 2516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ezv_c2z.sdf -rw-rw-r-- root/root 4138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ezx_5t5.sdf -rw-rw-r-- root/root 4280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ezz_5t6.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f00_5t8.sdf -rw-rw-r-- root/root 4043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f01_5t7.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f03_5ta.sdf -rw-rw-r-- root/root 3495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f04_5tb.sdf -rw-rw-r-- root/root 3408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f08_5tg.sdf -rw-rw-r-- root/root 3234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f09_bc8.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f0c_5te.sdf -rw-rw-r-- root/root 3384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f0f_5td.sdf -rw-rw-r-- root/root 4396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f0h_5tc.sdf -rw-rw-r-- root/root 3715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f1h_5u6.sdf -rw-rw-r-- root/root 2317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f1j_5to.sdf -rw-rw-r-- root/root 3625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f1l_5u2.sdf -rw-rw-r-- root/root 3999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f1r_42o.sdf -rw-rw-r-- root/root 3844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f1z_5u3.sdf -rw-rw-r-- root/root 3547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f20_5u4.sdf -rw-rw-r-- root/root 2771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f25_5tu.sdf -rw-rw-r-- root/root 2441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f27_5tt.sdf -rw-rw-r-- root/root 4691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f2f_5u7.sdf -rw-rw-r-- root/root 3026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f2l_m2p.sdf -rw-rw-r-- root/root 2442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f2p_5ty.sdf -rw-rw-r-- root/root 2447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f2s_5tz.sdf -rw-rw-r-- root/root 2437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f2w_5up.sdf -rw-rw-r-- root/root 2707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f32_5v7.sdf -rw-rw-r-- root/root 2442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f36_5ue.sdf -rw-rw-r-- root/root 1959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f37_n5j.sdf -rw-rw-r-- root/root 3846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f38_5ug.sdf -rw-rw-r-- root/root 6311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f38_coz.sdf -rw-rw-r-- root/root 2572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f39_5ub.sdf -rw-rw-r-- root/root 2520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f3a_5u9.sdf -rw-rw-r-- root/root 4003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f3c_5u8.sdf -rw-rw-r-- root/root 2351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f3d_5uk.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f3e_5uo.sdf -rw-rw-r-- root/root 4209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f3f_5us.sdf -rw-rw-r-- root/root 4472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f3g_5ul.sdf -rw-rw-r-- root/root 2740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f3t_5uh.sdf -rw-rw-r-- root/root 2650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f3z_5v5.sdf -rw-rw-r-- root/root 2652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f41_5v6.sdf -rw-rw-r-- root/root 3882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f4n_5uy.sdf -rw-rw-r-- root/root 2670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f5a_5v0.sdf -rw-rw-r-- root/root 3055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f5c_5v3.sdf -rw-rw-r-- root/root 2780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f5i_5v1.sdf -rw-rw-r-- root/root 4936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f5z_5vy.sdf -rw-rw-r-- root/root 2563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f6d_5vj.sdf -rw-rw-r-- root/root 2425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f6r_5vo.sdf -rw-rw-r-- root/root 3110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f6u_5vk.sdf -rw-rw-r-- root/root 2267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f6w_5vl.sdf -rw-rw-r-- root/root 2002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f6y_5vm.sdf -rw-rw-r-- root/root 4812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f79_4v7.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f8p_fij.sdf -rw-rw-r-- root/root 1720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f8x_mrz.sdf -rw-rw-r-- root/root 4555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f91_5wj.sdf -rw-rw-r-- root/root 3400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f94_3uo.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f95_3up.sdf -rw-rw-r-- root/root 4264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5f9e_5vs.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fah_5vt.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5faj_dcs.sdf -rw-rw-r-- root/root 4575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fbe_5w5.sdf -rw-rw-r-- root/root 3367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fbi_5wd.sdf -rw-rw-r-- root/root 2602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fbk_tcr.sdf -rw-rw-r-- root/root 4839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fbl_5w9.sdf -rw-rw-r-- root/root 5702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fbn_5wf.sdf -rw-rw-r-- root/root 5751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fbo_5wh.sdf -rw-rw-r-- root/root 5096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fbr_5w7.sdf -rw-rw-r-- root/root 4612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fbv_5w3.sdf -rw-rw-r-- root/root 4870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fbw_5w8.sdf -rw-rw-r-- root/root 3526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fbx_5w4.sdf -rw-rw-r-- root/root 2806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fc4_5wk.sdf -rw-rw-r-- root/root 4343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fc4_5wl.sdf -rw-rw-r-- root/root 3912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fc6_ap2.sdf -rw-rw-r-- root/root 4907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fck_5wc.sdf -rw-rw-r-- root/root 2981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fcw_5ya.sdf -rw-rw-r-- root/root 4336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fd2_5xj.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fdl_5dv.sdf -rw-rw-r-- root/root 4681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fdo_5x2.sdf -rw-rw-r-- root/root 5246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fdp_5wr.sdf -rw-rw-r-- root/root 1840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fdq_60a.sdf -rw-rw-r-- root/root 5929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fdr_5x3.sdf -rw-rw-r-- root/root 5231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fdx_5x1.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fdz_5x0.sdf -rw-rw-r-- root/root 2075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fe1_12q.sdf -rw-rw-r-- root/root 1958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fe2_5wv.sdf -rw-rw-r-- root/root 2083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fe3_5wx.sdf -rw-rw-r-- root/root 2215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fe4_5wy.sdf -rw-rw-r-- root/root 2208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fe5_2qc.sdf -rw-rw-r-- root/root 2093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fe6_5wz.sdf -rw-rw-r-- root/root 2337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fe7_5wu.sdf -rw-rw-r-- root/root 2689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fe8_5wt.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fe9_5ws.sdf -rw-rw-r-- root/root 3911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fem_60g.sdf -rw-rw-r-- root/root 2137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fep_41k.sdf -rw-rw-r-- root/root 2159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fez_9se.sdf -rw-rw-r-- root/root 2024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ff2_5xb.sdf -rw-rw-r-- root/root 1635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ff3_prs.sdf -rw-rw-r-- root/root 2386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ff4_5zz.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ffy_5xd.sdf -rw-rw-r-- root/root 4005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fg5_5xf.sdf -rw-rw-r-- root/root 3776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fg6_5xe.sdf -rw-rw-r-- root/root 4026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fgk_5xg.sdf -rw-rw-r-- root/root 3228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fh6_5xm.sdf -rw-rw-r-- root/root 2947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fh7_5xl.sdf -rw-rw-r-- root/root 3153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fh8_5xk.sdf -rw-rw-r-- root/root 3832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fhm_5xp.sdf -rw-rw-r-- root/root 3695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fhn_5xo.sdf -rw-rw-r-- root/root 3777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fho_5xn.sdf -rw-rw-r-- root/root 2294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fhr_dnc.sdf -rw-rw-r-- root/root 5008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fi2_5xx.sdf -rw-rw-r-- root/root 3933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fi4_5xv.sdf -rw-rw-r-- root/root 5007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fi6_5xy.sdf -rw-rw-r-- root/root 4996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fi7_5xz.sdf -rw-rw-r-- root/root 3881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fi8_5y5.sdf -rw-rw-r-- root/root 2845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fi9_nt8.sdf -rw-rw-r-- root/root 3096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fic_6e0.sdf -rw-rw-r-- root/root 3068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fiu_y3j.sdf -rw-rw-r-- root/root 5067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fiv_3tl.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fj2_xeb.sdf -rw-rw-r-- root/root 2502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fjk_em6.sdf -rw-rw-r-- root/root 2421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fjv_epj.sdf -rw-rw-r-- root/root 6352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fkj_g0w.sdf -rw-rw-r-- root/root 2496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fky_2j4.sdf -rw-rw-r-- root/root 2996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fl0_71i.sdf -rw-rw-r-- root/root 2903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fl1_dv1.sdf -rw-rw-r-- root/root 3500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fl4_9fk.sdf -rw-rw-r-- root/root 3268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fl5_82e.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fl6_y0r.sdf -rw-rw-r-- root/root 2061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fnq_s0w.sdf -rw-rw-r-- root/root 3292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fnr_xms.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fns_xyy.sdf -rw-rw-r-- root/root 4717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fnt_0pl.sdf -rw-rw-r-- root/root 5402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fnu_l6i.sdf -rw-rw-r-- root/root 4950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5foi_my8.sdf -rw-rw-r-- root/root 3730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5foq_gc8.sdf -rw-rw-r-- root/root 3982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fp0_szc.sdf -rw-rw-r-- root/root 3122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fp3_3ji.sdf -rw-rw-r-- root/root 3108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fp4_yc8.sdf -rw-rw-r-- root/root 2706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fp8_auy.sdf -rw-rw-r-- root/root 1842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fp9_4sv.sdf -rw-rw-r-- root/root 2707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fpb_ha6.sdf -rw-rw-r-- root/root 4776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fpf_5zi.sdf -rw-rw-r-- root/root 4901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fpg_q28.sdf -rw-rw-r-- root/root 2933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fpl_qay.sdf -rw-rw-r-- root/root 2080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fpm_iwt.sdf -rw-rw-r-- root/root 3471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fq9_c6s.sdf -rw-rw-r-- root/root 3829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fqb_ok3.sdf -rw-rw-r-- root/root 2914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fqd_lvy.sdf -rw-rw-r-- root/root 3937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fqp_gqd.sdf -rw-rw-r-- root/root 3794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fqr_qhg.sdf -rw-rw-r-- root/root 3905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fqs_j0w.sdf -rw-rw-r-- root/root 3911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fqt_7qn.sdf -rw-rw-r-- root/root 3918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fqv_vqi.sdf -rw-rw-r-- root/root 3460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fri_zuq.sdf -rw-rw-r-- root/root 3716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5frm_wa5.sdf -rw-rw-r-- root/root 4382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5frn_quw.sdf -rw-rw-r-- root/root 4967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fro_xxj.sdf -rw-rw-r-- root/root 4475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fsi_8dg.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fsk_h6y.sdf -rw-rw-r-- root/root 2199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fsl_uan.sdf -rw-rw-r-- root/root 2307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fsm_n91.sdf -rw-rw-r-- root/root 2205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fsn_6q3.sdf -rw-rw-r-- root/root 1860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fso_s76.sdf -rw-rw-r-- root/root 4892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ftg_nbr.sdf -rw-rw-r-- root/root 5404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fto_ymx.sdf -rw-rw-r-- root/root 5653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ftq_u4w.sdf -rw-rw-r-- root/root 4164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fum_sof.sdf -rw-rw-r-- root/root 3513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fun_gza.sdf -rw-rw-r-- root/root 3593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fuq_dtc.sdf -rw-rw-r-- root/root 5167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fut_pq7.sdf -rw-rw-r-- root/root 3467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fv7_r3z.sdf -rw-rw-r-- root/root 1929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fve_2ho.sdf -rw-rw-r-- root/root 3257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fvo_d8h.sdf -rw-rw-r-- root/root 3262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fvp_wos.sdf -rw-rw-r-- root/root 3391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fvr_h65.sdf -rw-rw-r-- root/root 3388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fvy_w64.sdf -rw-rw-r-- root/root 3257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fvz_w67.sdf -rw-rw-r-- root/root 3272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fw0_w30.sdf -rw-rw-r-- root/root 4840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fwg_gpr.sdf -rw-rw-r-- root/root 3481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fwr_3x8.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fxq_gd5.sdf -rw-rw-r-- root/root 4139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fxr_8ln.sdf -rw-rw-r-- root/root 5051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fxs_ozn.sdf -rw-rw-r-- root/root 2219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fy8_n81.sdf -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fyb_77j.sdf -rw-rw-r-- root/root 1827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fym_2hg.sdf -rw-rw-r-- root/root 2525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fyt_wqs.sdf -rw-rw-r-- root/root 2136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fyu_by4.sdf -rw-rw-r-- root/root 1708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fyv_oaa.sdf -rw-rw-r-- root/root 2151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fyy_n6y.sdf -rw-rw-r-- root/root 2262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fyz_nyk.sdf -rw-rw-r-- root/root 2560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fz0_dj6.sdf -rw-rw-r-- root/root 2636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fz1_w77.sdf -rw-rw-r-- root/root 1713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fz6_mn1.sdf -rw-rw-r-- root/root 2543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fz7_wgt.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fz9_nuk.sdf -rw-rw-r-- root/root 1812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fzb_ys6.sdf -rw-rw-r-- root/root 2559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fzc_d8s.sdf -rw-rw-r-- root/root 2710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fze_h0x.sdf -rw-rw-r-- root/root 2937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fzf_uun.sdf -rw-rw-r-- root/root 2810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fzg_7ia.sdf -rw-rw-r-- root/root 2129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fzh_0ti.sdf -rw-rw-r-- root/root 3039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fzi_fig.sdf -rw-rw-r-- root/root 2093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fzj_75k.sdf -rw-rw-r-- root/root 2689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fzk_nrw.sdf -rw-rw-r-- root/root 2453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fzl_uoi.sdf -rw-rw-r-- root/root 2448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fzm_p60.sdf -rw-rw-r-- root/root 1823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5fzn_fb2.sdf -rw-rw-r-- root/root 5731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g0s_eeh.sdf -rw-rw-r-- root/root 5325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g0t_s72.sdf -rw-rw-r-- root/root 5273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g0u_9cv.sdf -rw-rw-r-- root/root 4454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g0v_jdd.sdf -rw-rw-r-- root/root 5807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g0w_9nu.sdf -rw-rw-r-- root/root 3215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g17_6dk.sdf -rw-rw-r-- root/root 4224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g1a_7h1.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g1c_9rb.sdf -rw-rw-r-- root/root 4838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g2n_6e2.sdf -rw-rw-r-- root/root 4565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g3j_e7t.sdf -rw-rw-r-- root/root 2492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g3m_9jh.sdf -rw-rw-r-- root/root 3807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g3n_x28.sdf -rw-rw-r-- root/root 3644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g3r_89a.sdf -rw-rw-r-- root/root 2439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g3u_itw.sdf -rw-rw-r-- root/root 3029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g3w_c65.sdf -rw-rw-r-- root/root 2221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g42_4tu.sdf -rw-rw-r-- root/root 2081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g43_5im.sdf -rw-rw-r-- root/root 2289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g44_swx.sdf -rw-rw-r-- root/root 2048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g45_a7w.sdf -rw-rw-r-- root/root 2774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g48_1fl.sdf -rw-rw-r-- root/root 4147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g4c_cna.sdf -rw-rw-r-- root/root 2912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g4m_o82.sdf -rw-rw-r-- root/root 3032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g4n_o83.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g4o_o80.sdf -rw-rw-r-- root/root 2089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g4q_2hq.sdf -rw-rw-r-- root/root 4262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g4r_lf1.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g4s_8vi.sdf -rw-rw-r-- root/root 3618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g55_3qh.sdf -rw-rw-r-- root/root 1744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g5j_mf8.sdf -rw-rw-r-- root/root 4575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g5w_r8c.sdf -rw-rw-r-- root/root 1941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g65_2aq.sdf -rw-rw-r-- root/root 2067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g66_m5k.sdf -rw-rw-r-- root/root 3245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g69_m7k.sdf -rw-rw-r-- root/root 3369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g6d_jht.sdf -rw-rw-r-- root/root 3247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g6h_m85.sdf -rw-rw-r-- root/root 3362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g6o_8vj.sdf -rw-rw-r-- root/root 3276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g6q_tue.sdf -rw-rw-r-- root/root 2194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5g6s_rau.sdf -rw-rw-r-- root/root 3178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ggk_mbe.sdf -rw-rw-r-- root/root 3613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ggl_6zc.sdf -rw-rw-r-- root/root 3784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ggz_6tn.sdf -rw-rw-r-- root/root 1423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gh0_mzy.sdf -rw-rw-r-- root/root 4471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ghq_6u4.sdf -rw-rw-r-- root/root 4859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ghv_x5g.sdf -rw-rw-r-- root/root 3405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ghz_ced.sdf -rw-rw-r-- root/root 2342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gi8_7dp.sdf -rw-rw-r-- root/root 2455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gi9_7an.sdf -rw-rw-r-- root/root 5617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gic_dlc.sdf -rw-rw-r-- root/root 5897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gid_vdp.sdf -rw-rw-r-- root/root 5032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gjd_6v3.sdf -rw-rw-r-- root/root 5701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gjf_6v4.sdf -rw-rw-r-- root/root 5586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gjg_6v5.sdf -rw-rw-r-- root/root 2818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gmd_dp6.sdf -rw-rw-r-- root/root 3637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gmn_949.sdf -rw-rw-r-- root/root 3717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gmu_7lh.sdf -rw-rw-r-- root/root 4822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gmz_6xu.sdf -rw-rw-r-- root/root 3960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gn7_6xz.sdf -rw-rw-r-- root/root 2634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gn9_6y0.sdf -rw-rw-r-- root/root 3874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gon_6zr.sdf -rw-rw-r-- root/root 5853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5grn_748.sdf -rw-rw-r-- root/root 4639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gsw_5gi.sdf -rw-rw-r-- root/root 5054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gt4_2kb.sdf -rw-rw-r-- root/root 4065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gue_ggs.sdf -rw-rw-r-- root/root 5773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gwi_n2r.sdf -rw-rw-r-- root/root 5640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gwj_n2s.sdf -rw-rw-r-- root/root 4237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gym_wy5.sdf -rw-rw-r-- root/root 3582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5gz2_7bv.sdf -rw-rw-r-- root/root 4400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h08_7wl.sdf -rw-rw-r-- root/root 5402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h09_ooo.sdf -rw-rw-r-- root/root 5225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h0b_ooq.sdf -rw-rw-r-- root/root 5186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h0e_oos.sdf -rw-rw-r-- root/root 5316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h0g_oou.sdf -rw-rw-r-- root/root 5428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h0h_oov.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h13_lqa.sdf -rw-rw-r-- root/root 3769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h14_lqb.sdf -rw-rw-r-- root/root 3859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h17_lqe.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h19_lqf.sdf -rw-rw-r-- root/root 2458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h1t_7ff.sdf -rw-rw-r-- root/root 2213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h1u_6kt.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h1v_7fu.sdf -rw-rw-r-- root/root 4143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h22_7ft.sdf -rw-rw-r-- root/root 2810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h24_lqg.sdf -rw-rw-r-- root/root 3036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h25_lqh.sdf -rw-rw-r-- root/root 3098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h2z_7gf.sdf -rw-rw-r-- root/root 4979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h3q_7hf.sdf -rw-rw-r-- root/root 1953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h4i_7hq.sdf -rw-rw-r-- root/root 4386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h4j_fkm.sdf -rw-rw-r-- root/root 3088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h73_7l7.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h7o_7q7.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h85_5xs.sdf -rw-rw-r-- root/root 3901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h8b_5y2.sdf -rw-rw-r-- root/root 4381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h8e_5y3.sdf -rw-rw-r-- root/root 4614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h8g_5y4.sdf -rw-rw-r-- root/root 1729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h8m_lmr.sdf -rw-rw-r-- root/root 3460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h8x_5xt.sdf -rw-rw-r-- root/root 6147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h9p_td2.sdf -rw-rw-r-- root/root 4934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5h9r_tgz.sdf -rw-rw-r-- root/root 3215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ha1_rne.sdf -rw-rw-r-- root/root 3182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ha7_wy1.sdf -rw-rw-r-- root/root 4321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hbe_5y6.sdf -rw-rw-r-- root/root 4626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hbh_5y7.sdf -rw-rw-r-- root/root 4133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hbj_5y8.sdf -rw-rw-r-- root/root 3052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hbm_nvp.sdf -rw-rw-r-- root/root 2157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hco_601.sdf -rw-rw-r-- root/root 3809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hct_61p.sdf -rw-rw-r-- root/root 4024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hcv_60r.sdf -rw-rw-r-- root/root 4392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hcx_60b.sdf -rw-rw-r-- root/root 5344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hcy_60d.sdf -rw-rw-r-- root/root 5379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hcz_60e.sdf -rw-rw-r-- root/root 4612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hd0_60y.sdf -rw-rw-r-- root/root 4956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hdb_5yb.sdf -rw-rw-r-- root/root 4851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hdu_60w.sdf -rw-rw-r-- root/root 4282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hdv_60v.sdf -rw-rw-r-- root/root 4407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hdx_60u.sdf -rw-rw-r-- root/root 5612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5he1_zs2.sdf -rw-rw-r-- root/root 5599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5he2_f0s.sdf -rw-rw-r-- root/root 5501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5he3_ff1.sdf -rw-rw-r-- root/root 4362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5he4_60t.sdf -rw-rw-r-- root/root 4318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5he5_60s.sdf -rw-rw-r-- root/root 4362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5he7_60x.sdf -rw-rw-r-- root/root 4608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hes_032.sdf -rw-rw-r-- root/root 4715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hex_604.sdf -rw-rw-r-- root/root 4302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hf2_u75.sdf -rw-rw-r-- root/root 5104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hfu_603.sdf -rw-rw-r-- root/root 3607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hg1_62c.sdf -rw-rw-r-- root/root 2321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hh5_60m.sdf -rw-rw-r-- root/root 2480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hh6_60n.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hhw_60o.sdf -rw-rw-r-- root/root 5929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hi3_63o.sdf -rw-rw-r-- root/root 6439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hi4_63p.sdf -rw-rw-r-- root/root 5824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hi5_63q.sdf -rw-rw-r-- root/root 4520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hi7_62x.sdf -rw-rw-r-- root/root 3769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hib_63m.sdf -rw-rw-r-- root/root 4274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hic_63n.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hid_b1e.sdf -rw-rw-r-- root/root 4456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hin_1kl.sdf -rw-rw-r-- root/root 2214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hio_61m.sdf -rw-rw-r-- root/root 2396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hip_61o.sdf -rw-rw-r-- root/root 2285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hiq_60q.sdf -rw-rw-r-- root/root 1738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5his_60p.sdf -rw-rw-r-- root/root 3154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hjo_xd3.sdf -rw-rw-r-- root/root 2132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hjr_5gf.sdf -rw-rw-r-- root/root 4802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hjs_668.sdf -rw-rw-r-- root/root 3180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hk1_61w.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hk2_61v.sdf -rw-rw-r-- root/root 3811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hki_6zj.sdf -rw-rw-r-- root/root 3438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hkm_61y.sdf -rw-rw-r-- root/root 2079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hko_62w.sdf -rw-rw-r-- root/root 5397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hl1_63j.sdf -rw-rw-r-- root/root 4126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hlm_b9f.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hlp_65a.sdf -rw-rw-r-- root/root 3802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hls_62g.sdf -rw-rw-r-- root/root 5208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hlw_62e.sdf -rw-rw-r-- root/root 6803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hmh_62r.sdf -rw-rw-r-- root/root 6476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hmi_62t.sdf -rw-rw-r-- root/root 6561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hmk_62q.sdf -rw-rw-r-- root/root 2975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hmw_lnw.sdf -rw-rw-r-- root/root 2893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hmx_lnx.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hmy_lny.sdf -rw-rw-r-- root/root 3626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hmz_lnz.sdf -rw-rw-r-- root/root 2630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hn0_lnn.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hnb_62m.sdf -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hng_62o.sdf -rw-rw-r-- root/root 2917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hnu_65d.sdf -rw-rw-r-- root/root 2391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ho7_63l.sdf -rw-rw-r-- root/root 3039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ho8_63e.sdf -rw-rw-r-- root/root 5197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hoa_63k.sdf -rw-rw-r-- root/root 3409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hpb_63w.sdf -rw-rw-r-- root/root 1984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hpw_3cj.sdf -rw-rw-r-- root/root 3311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hqe_64b.sdf -rw-rw-r-- root/root 3525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hqz_64j.sdf -rw-rw-r-- root/root 5358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hrn_65p.sdf -rw-rw-r-- root/root 2576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hrv_64c.sdf -rw-rw-r-- root/root 2693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hrw_64e.sdf -rw-rw-r-- root/root 2796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hrx_64f.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hs3_ki3.sdf -rw-rw-r-- root/root 3124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hs6_j3z.sdf -rw-rw-r-- root/root 3296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hsr_63y.sdf -rw-rw-r-- root/root 1908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hss_64z.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hss_650.sdf -rw-rw-r-- root/root 3413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ht4_65j.sdf -rw-rw-r-- root/root 3292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ht5_65h.sdf -rw-rw-r-- root/root 4951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5htb_6l5.sdf -rw-rw-r-- root/root 4915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5htc_66m.sdf -rw-rw-r-- root/root 1382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5htc_66n.sdf -rw-rw-r-- root/root 5768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hti_66l.sdf -rw-rw-r-- root/root 3853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5htz_66j.sdf -rw-rw-r-- root/root 4023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hu0_66h.sdf -rw-rw-r-- root/root 4089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hu1_66f.sdf -rw-rw-r-- root/root 5740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hu9_66k.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hui_65n.sdf -rw-rw-r-- root/root 2575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5huu_g6p.sdf -rw-rw-r-- root/root 3399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hvb_65o.sdf -rw-rw-r-- root/root 3525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hve_65q.sdf -rw-rw-r-- root/root 1964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hvk_sep.sdf -rw-rw-r-- root/root 4541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hvs_65v.sdf -rw-rw-r-- root/root 3018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hvt_nvs.sdf -rw-rw-r-- root/root 4332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hvu_65r.sdf -rw-rw-r-- root/root 4739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hvy_66x.sdf -rw-rw-r-- root/root 2229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hwe_mha.sdf -rw-rw-r-- root/root 4044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hx6_65u.sdf -rw-rw-r-- root/root 3611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hx8_66p.sdf -rw-rw-r-- root/root 1742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hy1_wdl.sdf -rw-rw-r-- root/root 3336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hyk_65w.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hz5_65x.sdf -rw-rw-r-- root/root 3709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hz6_65y.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hz8_65z.sdf -rw-rw-r-- root/root 3134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hz9_5m8.sdf -rw-rw-r-- root/root 4628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5hzn_66a.sdf -rw-rw-r-- root/root 3922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i02_pk2.sdf -rw-rw-r-- root/root 4249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i09_1ud.sdf -rw-rw-r-- root/root 2966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i0b_67u.sdf -rw-rw-r-- root/root 6874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i0l_h27.sdf -rw-rw-r-- root/root 2922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i13_4p9.sdf -rw-rw-r-- root/root 3641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i1q_67c.sdf -rw-rw-r-- root/root 5228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i2e_67d.sdf -rw-rw-r-- root/root 5317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i2f_bs5.sdf -rw-rw-r-- root/root 4048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i2r_67a.sdf -rw-rw-r-- root/root 6813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i2z_v24.sdf -rw-rw-r-- root/root 5900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i3m_67f.sdf -rw-rw-r-- root/root 3979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i3o_idv.sdf -rw-rw-r-- root/root 4515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i3p_68t.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i3r_idk.sdf -rw-rw-r-- root/root 1364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i3t_bu2.sdf -rw-rw-r-- root/root 4226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i3v_68m.sdf -rw-rw-r-- root/root 1990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i40_67n.sdf -rw-rw-r-- root/root 7364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i43_67m.sdf -rw-rw-r-- root/root 5343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i46_67o.sdf -rw-rw-r-- root/root 5837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i4o_v28.sdf -rw-rw-r-- root/root 4398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i4u_67t.sdf -rw-rw-r-- root/root 4606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i4v_67s.sdf -rw-rw-r-- root/root 3003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i5x_68c.sdf -rw-rw-r-- root/root 3807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i5z_68u.sdf -rw-rw-r-- root/root 2997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i6d_au6.sdf -rw-rw-r-- root/root 4865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i6u_68r.sdf -rw-rw-r-- root/root 3124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i7a_68q.sdf -rw-rw-r-- root/root 3001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i7h_68v.sdf -rw-rw-r-- root/root 3003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i7o_s16.sdf -rw-rw-r-- root/root 3564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i7r_68w.sdf -rw-rw-r-- root/root 4553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i7u_6aj.sdf -rw-rw-r-- root/root 3288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i7x_67b.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i83_68y.sdf -rw-rw-r-- root/root 3466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i86_69a.sdf -rw-rw-r-- root/root 3660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i88_69g.sdf -rw-rw-r-- root/root 3854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i89_69b.sdf -rw-rw-r-- root/root 3477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i8a_69c.sdf -rw-rw-r-- root/root 3888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i8b_69f.sdf -rw-rw-r-- root/root 4184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i8g_69e.sdf -rw-rw-r-- root/root 5185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i8p_vq7.sdf -rw-rw-r-- root/root 5063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i94_69v.sdf -rw-rw-r-- root/root 4619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i96_69q.sdf -rw-rw-r-- root/root 6252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5i9i_5hv.sdf -rw-rw-r-- root/root 4945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ia0_a5b.sdf -rw-rw-r-- root/root 4696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ia1_zzl.sdf -rw-rw-r-- root/root 4338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ia2_l66.sdf -rw-rw-r-- root/root 6020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ia5_gv0.sdf -rw-rw-r-- root/root 3081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iaw_t73.sdf -rw-rw-r-- root/root 3831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ibd_ggj.sdf -rw-rw-r-- root/root 3716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ibe_69m.sdf -rw-rw-r-- root/root 2895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ibf_69w.sdf -rw-rw-r-- root/root 3850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ibg_69s.sdf -rw-rw-r-- root/root 3757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ibh_69r.sdf -rw-rw-r-- root/root 3944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ibi_69u.sdf -rw-rw-r-- root/root 3019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ibj_69t.sdf -rw-rw-r-- root/root 3804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ick_fez.sdf -rw-rw-r-- root/root 3478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5icm_f45.sdf -rw-rw-r-- root/root 3478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5icp_69z.sdf -rw-rw-r-- root/root 3509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5id9_6a4.sdf -rw-rw-r-- root/root 3592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5idn_6a7.sdf -rw-rw-r-- root/root 3660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5idp_6a6.sdf -rw-rw-r-- root/root 2143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5idz_6bm.sdf -rw-rw-r-- root/root 2486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ief_nbv.sdf -rw-rw-r-- root/root 3221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ieg_6a9.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iev_r0n.sdf -rw-rw-r-- root/root 3825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iex_6af.sdf -rw-rw-r-- root/root 5764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iez_6al.sdf -rw-rw-r-- root/root 2241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5if2_6b1.sdf -rw-rw-r-- root/root 1840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5if5_6b0.sdf -rw-rw-r-- root/root 2958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5if7_6ay.sdf -rw-rw-r-- root/root 2341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5if8_6ax.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ifb_6av.sdf -rw-rw-r-- root/root 2062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ifc_6ar.sdf -rw-rw-r-- root/root 2061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ifd_6aq.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ifu_gbm.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ig6_6b3.sdf -rw-rw-r-- root/root 4897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ign_6b2.sdf -rw-rw-r-- root/root 3010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ih5_aue.sdf -rw-rw-r-- root/root 3008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ih6_aug.sdf -rw-rw-r-- root/root 1956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ih7_omi.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ih8_6bj.sdf -rw-rw-r-- root/root 4437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ih9_6bf.sdf -rw-rw-r-- root/root 4063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iha_6be.sdf -rw-rw-r-- root/root 3724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ihc_6bb.sdf -rw-rw-r-- root/root 3289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ihh_6b5.sdf -rw-rw-r-- root/root 2468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ii1_6bl.sdf -rw-rw-r-- root/root 3009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iid_6bk.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iin_dup.sdf -rw-rw-r-- root/root 4313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iis_6cb.sdf -rw-rw-r-- root/root 5035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ij8_6bn.sdf -rw-rw-r-- root/root 2173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ijr_hrg.sdf -rw-rw-r-- root/root 2441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ik6_cre.sdf -rw-rw-r-- root/root 1726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ik6_dpo.sdf -rw-rw-r-- root/root 3017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ik9_fjp.sdf -rw-rw-r-- root/root 1726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ika_dpo.sdf -rw-rw-r-- root/root 2485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ikb_kai.sdf -rw-rw-r-- root/root 2508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ikh_6bw.sdf -rw-rw-r-- root/root 3295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iki_a9h.sdf -rw-rw-r-- root/root 2901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ikq_jms.sdf -rw-rw-r-- root/root 2780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ikt_tlf.sdf -rw-rw-r-- root/root 4018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ikw_6bu.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5il8_6bx.sdf -rw-rw-r-- root/root 2462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ili_3fx.sdf -rw-rw-r-- root/root 2305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ilj_btb.sdf -rw-rw-r-- root/root 2702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ilw_uri.sdf -rw-rw-r-- root/root 1726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ily_dpo.sdf -rw-rw-r-- root/root 4501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ime_6bz.sdf -rw-rw-r-- root/root 2562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5imp_jf1.sdf -rw-rw-r-- root/root 5330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5imx_cz4.sdf -rw-rw-r-- root/root 3890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5in9_6c0.sdf -rw-rw-r-- root/root 1959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5io7_d12.sdf -rw-rw-r-- root/root 2320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ioy_6c5.sdf -rw-rw-r-- root/root 2317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ioz_6c4.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ip6_6c9.sdf -rw-rw-r-- root/root 2340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ipa_6c8.sdf -rw-rw-r-- root/root 4926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ipc_6ce.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ipe_6cg.sdf -rw-rw-r-- root/root 3978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ipj_6cd.sdf -rw-rw-r-- root/root 2700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ipz_6cc.sdf -rw-rw-r-- root/root 3497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5irq_6d7.sdf -rw-rw-r-- root/root 3496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5irq_7d6.sdf -rw-rw-r-- root/root 4368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iru_b9p.sdf -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5irv_6d8.sdf -rw-rw-r-- root/root 2646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5irw_d9p.sdf -rw-rw-r-- root/root 1973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5is4_6ly.sdf -rw-rw-r-- root/root 5001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5is5_6cy.sdf -rw-rw-r-- root/root 2118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5is6_pg4.sdf -rw-rw-r-- root/root 3410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5is7_dsh.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5is8_6d1.sdf -rw-rw-r-- root/root 5601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5is9_6d3.sdf -rw-rw-r-- root/root 4470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5isa_6d5.sdf -rw-rw-r-- root/root 4555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5isb_6cx.sdf -rw-rw-r-- root/root 4418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5isc_6d0.sdf -rw-rw-r-- root/root 4736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5isd_6cz.sdf -rw-rw-r-- root/root 4632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ise_6d2.sdf -rw-rw-r-- root/root 4430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5isf_6d4.sdf -rw-rw-r-- root/root 4274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5isg_6d6.sdf -rw-rw-r-- root/root 4107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ish_765.sdf -rw-rw-r-- root/root 1975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5isj_6le.sdf -rw-rw-r-- root/root 1938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5isk_6lz.sdf -rw-rw-r-- root/root 3978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ism_6dg.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iso_992.sdf -rw-rw-r-- root/root 3979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ita_6dc.sdf -rw-rw-r-- root/root 5038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iu2_6da.sdf -rw-rw-r-- root/root 1860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iu6_7hx.sdf -rw-rw-r-- root/root 4270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iu7_6dy.sdf -rw-rw-r-- root/root 3706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iu8_6dz.sdf -rw-rw-r-- root/root 4382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iua_6dx.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iub_6dv.sdf -rw-rw-r-- root/root 5659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iug_729.sdf -rw-rw-r-- root/root 5553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iuh_34y.sdf -rw-rw-r-- root/root 4235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iui_45q.sdf -rw-rw-r-- root/root 6893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iuq_6e1.sdf -rw-rw-r-- root/root 3699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iut_32m.sdf -rw-rw-r-- root/root 3629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iv0_6e9.sdf -rw-rw-r-- root/root 3714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ivc_6e7.sdf -rw-rw-r-- root/root 2623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ive_6e8.sdf -rw-rw-r-- root/root 3643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ivf_6eb.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ivj_6ed.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ivq_6eh.sdf -rw-rw-r-- root/root 5627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ivr_6eg.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ivv_6en.sdf -rw-rw-r-- root/root 3028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ivy_6eo.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iw0_6ep.sdf -rw-rw-r-- root/root 3697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iw8_6ec.sdf -rw-rw-r-- root/root 3697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iwc_6eq.sdf -rw-rw-r-- root/root 2294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iwe_w81.sdf -rw-rw-r-- root/root 3315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iwf_lqt.sdf -rw-rw-r-- root/root 3364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iwg_iwx.sdf -rw-rw-r-- root/root 3705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ix0_6ez.sdf -rw-rw-r-- root/root 4583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ixk_6ew.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ixs_6ey.sdf -rw-rw-r-- root/root 5978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ixs_txd.sdf -rw-rw-r-- root/root 4629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ixy_gn2.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iyy_r40.sdf -rw-rw-r-- root/root 4213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5iz0_6f1.sdf -rw-rw-r-- root/root 4814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j0d_6f9.sdf -rw-rw-r-- root/root 3319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j1a_6f8.sdf -rw-rw-r-- root/root 2311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j1r_6fg.sdf -rw-rw-r-- root/root 2327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j1u_p93.sdf -rw-rw-r-- root/root 2534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j1v_6fd.sdf -rw-rw-r-- root/root 2410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j1w_6fb.sdf -rw-rw-r-- root/root 2880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j1x_ar5.sdf -rw-rw-r-- root/root 2336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j1y_p87.sdf -rw-rw-r-- root/root 2489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j25_47k.sdf -rw-rw-r-- root/root 4031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j3j_hl1.sdf -rw-rw-r-- root/root 2413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j3l_6fr.sdf -rw-rw-r-- root/root 4139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j3z_6fq.sdf -rw-rw-r-- root/root 3637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j42_6fv.sdf -rw-rw-r-- root/root 3130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j47_6jj.sdf -rw-rw-r-- root/root 2066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j4h_1f1.sdf -rw-rw-r-- root/root 2092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j4k_6fz.sdf -rw-rw-r-- root/root 3228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j4v_6jh.sdf -rw-rw-r-- root/root 3703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j4y_6jg.sdf -rw-rw-r-- root/root 3849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j5f_6gh.sdf -rw-rw-r-- root/root 4175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j5g_6gf.sdf -rw-rw-r-- root/root 4173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j5h_6gk.sdf -rw-rw-r-- root/root 4047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j5i_6gm.sdf -rw-rw-r-- root/root 5030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j5s_6g3.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j5t_6g2.sdf -rw-rw-r-- root/root 4936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j63_g3n.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j6d_6h5.sdf -rw-rw-r-- root/root 3398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j6s_6ga.sdf -rw-rw-r-- root/root 3345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j79_6ge.sdf -rw-rw-r-- root/root 3973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j7b_6gd.sdf -rw-rw-r-- root/root 6200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j7f_6gg.sdf -rw-rw-r-- root/root 5429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j7h_6gy.sdf -rw-rw-r-- root/root 2666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j7q_6h2.sdf -rw-rw-r-- root/root 4147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j82_6gv.sdf -rw-rw-r-- root/root 4383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j86_6gw.sdf -rw-rw-r-- root/root 4286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j89_6gx.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j8l_tgj.sdf -rw-rw-r-- root/root 4465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j8o_6gz.sdf -rw-rw-r-- root/root 4486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j8z_fc4.sdf -rw-rw-r-- root/root 3993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j95_6hh.sdf -rw-rw-r-- root/root 4519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j9f_83a.sdf -rw-rw-r-- root/root 2330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j9m_6hd.sdf -rw-rw-r-- root/root 2446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j9n_6h9.sdf -rw-rw-r-- root/root 2449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5j9o_6h8.sdf -rw-rw-r-- root/root 4300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ja3_u06.sdf -rw-rw-r-- root/root 1852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jah_6hq.sdf -rw-rw-r-- root/root 2331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jal_6ho.sdf -rw-rw-r-- root/root 2426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jan_6hp.sdf -rw-rw-r-- root/root 2405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jao_6hx.sdf -rw-rw-r-- root/root 3147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jap_6hz.sdf -rw-rw-r-- root/root 3127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jar_6hv.sdf -rw-rw-r-- root/root 3017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jas_6hw.sdf -rw-rw-r-- root/root 3511 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jat_6hr.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jau_6hu.sdf -rw-rw-r-- root/root 3657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jaz_lc5.sdf -rw-rw-r-- root/root 3410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jbi_6j8.sdf -rw-rw-r-- root/root 3416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jc1_6jb.sdf -rw-rw-r-- root/root 4995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jcb_nv4.sdf -rw-rw-r-- root/root 2140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jcm_isd.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jct_6jq.sdf -rw-rw-r-- root/root 4363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jcu_gvx.sdf -rw-rw-r-- root/root 4601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jd7_6jr.sdf -rw-rw-r-- root/root 2282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jdg_mys.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jeb_6js.sdf -rw-rw-r-- root/root 2551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jf2_sf7.sdf -rw-rw-r-- root/root 2600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jf3_sf5.sdf -rw-rw-r-- root/root 2845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jf4_6jt.sdf -rw-rw-r-- root/root 2848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jf5_7jt.sdf -rw-rw-r-- root/root 2516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jf7_6ju.sdf -rw-rw-r-- root/root 4083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jfo_6ka.sdf -rw-rw-r-- root/root 5940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jfp_6kk.sdf -rw-rw-r-- root/root 3463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jfr_6kp.sdf -rw-rw-r-- root/root 4587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jfs_6k0.sdf -rw-rw-r-- root/root 4480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jfv_6k1.sdf -rw-rw-r-- root/root 4443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jfw_6k2.sdf -rw-rw-r-- root/root 4758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jfx_6k4.sdf -rw-rw-r-- root/root 4483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jg0_uc9.sdf -rw-rw-r-- root/root 6063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jg1_6kr.sdf -rw-rw-r-- root/root 4490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jgd_6kd.sdf -rw-rw-r-- root/root 3317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jgm_810.sdf -rw-rw-r-- root/root 3434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jgo_6jx.sdf -rw-rw-r-- root/root 2983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jgq_6jy.sdf -rw-rw-r-- root/root 4392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jha_6k7.sdf -rw-rw-r-- root/root 4407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jhb_6k5.sdf -rw-rw-r-- root/root 3467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jhh_ra0.sdf -rw-rw-r-- root/root 3442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jhk_6k8.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jhu_6ko.sdf -rw-rw-r-- root/root 3021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ji6_6kn.sdf -rw-rw-r-- root/root 2369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jib_oia.sdf -rw-rw-r-- root/root 3769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jic_n7e.sdf -rw-rw-r-- root/root 3475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jid_8pf.sdf -rw-rw-r-- root/root 3755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jix_6j7.sdf -rw-rw-r-- root/root 4610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jiz_6fw.sdf -rw-rw-r-- root/root 4660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jjr_68e.sdf -rw-rw-r-- root/root 4584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jjs_6l2.sdf -rw-rw-r-- root/root 4298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jkg_6lf.sdf -rw-rw-r-- root/root 4198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jlj_6l8.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jm5_6lg.sdf -rw-rw-r-- root/root 2264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jmn_ete.sdf -rw-rw-r-- root/root 3309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jmp_lc7.sdf -rw-rw-r-- root/root 3300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jmw_l50.sdf -rw-rw-r-- root/root 2221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jmx_dz5.sdf -rw-rw-r-- root/root 3916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jmy_6ld.sdf -rw-rw-r-- root/root 2550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jn9_ezl.sdf -rw-rw-r-- root/root 3309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jna_tor.sdf -rw-rw-r-- root/root 2075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jnc_6lh.sdf -rw-rw-r-- root/root 3651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jnl_l54.sdf -rw-rw-r-- root/root 3928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jnw_6lj.sdf -rw-rw-r-- root/root 3306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jo0_l56.sdf -rw-rw-r-- root/root 3188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jo1_6lm.sdf -rw-rw-r-- root/root 3751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jo3_6lk.sdf -rw-rw-r-- root/root 5167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jog_6lt.sdf -rw-rw-r-- root/root 3848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5joh_6m3.sdf -rw-rw-r-- root/root 2060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5joy_6lw.sdf -rw-rw-r-- root/root 3977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jq7_t0r.sdf -rw-rw-r-- root/root 2197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jr3_4mu.sdf -rw-rw-r-- root/root 4753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jrq_6n9.sdf -rw-rw-r-- root/root 5153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jrs_6mv.sdf -rw-rw-r-- root/root 4367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5js3_6mg.sdf -rw-rw-r-- root/root 5692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jsg_6p9.sdf -rw-rw-r-- root/root 6565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jsj_6pd.sdf -rw-rw-r-- root/root 9311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jsm_6nb.sdf -rw-rw-r-- root/root 3181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jsq_6ms.sdf -rw-rw-r-- root/root 4367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jss_6ng.sdf -rw-rw-r-- root/root 4302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jsv_6mq.sdf -rw-rw-r-- root/root 4855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jsw_6mm.sdf -rw-rw-r-- root/root 3331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jt0_xdx.sdf -rw-rw-r-- root/root 9543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jt2_6nc.sdf -rw-rw-r-- root/root 2515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jt5_6nk.sdf -rw-rw-r-- root/root 2525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jt6_6n1.sdf -rw-rw-r-- root/root 2529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jt7_6n2.sdf -rw-rw-r-- root/root 4287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jt9_7af.sdf -rw-rw-r-- root/root 4110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jun_6nu.sdf -rw-rw-r-- root/root 3958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jur_6ns.sdf -rw-rw-r-- root/root 4156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5juw_6nr.sdf -rw-rw-r-- root/root 4428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5juz_yl4.sdf -rw-rw-r-- root/root 4279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jv0_yl5.sdf -rw-rw-r-- root/root 4414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jv1_yl6.sdf -rw-rw-r-- root/root 3174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jv2_6o3.sdf -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jvd_6nl.sdf -rw-rw-r-- root/root 4190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jvi_6qc.sdf -rw-rw-r-- root/root 9984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jwm_6on.sdf -rw-rw-r-- root/root 4156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jxn_6nn.sdf -rw-rw-r-- root/root 3906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jxq_6ok.sdf -rw-rw-r-- root/root 5426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jy3_6ox.sdf -rw-rw-r-- root/root 5005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jyp_zbs.sdf -rw-rw-r-- root/root 4347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jyy_6py.sdf -rw-rw-r-- root/root 2216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jz9_6or.sdf -rw-rw-r-- root/root 2083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jzb_6ot.sdf -rw-rw-r-- root/root 5761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jzn_gui.sdf -rw-rw-r-- root/root 2084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5jzs_fgz.sdf -rw-rw-r-- root/root 5592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k00_6pv.sdf -rw-rw-r-- root/root 2580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k01_6ow.sdf -rw-rw-r-- root/root 2580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k03_6p4.sdf -rw-rw-r-- root/root 2814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k05_6p5.sdf -rw-rw-r-- root/root 3075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k0b_6ps.sdf -rw-rw-r-- root/root 3168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k0e_6oz.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k0f_6p1.sdf -rw-rw-r-- root/root 3302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k0g_6pm.sdf -rw-rw-r-- root/root 4287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k0i_6pw.sdf -rw-rw-r-- root/root 3444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k0j_6p2.sdf -rw-rw-r-- root/root 4655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k0k_6q1.sdf -rw-rw-r-- root/root 4788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k0m_6pu.sdf -rw-rw-r-- root/root 3430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k0n_6p0.sdf -rw-rw-r-- root/root 3624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k0s_0ou.sdf -rw-rw-r-- root/root 3479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k0t_415.sdf -rw-rw-r-- root/root 4754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k0x_k0x.sdf -rw-rw-r-- root/root 4615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k13_6q7.sdf -rw-rw-r-- root/root 3853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k14_ib1.sdf -rw-rw-r-- root/root 3941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k1i_6pt.sdf -rw-rw-r-- root/root 4773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k1v_6px.sdf -rw-rw-r-- root/root 3751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k32_6q2.sdf -rw-rw-r-- root/root 4509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k3n_6q6.sdf -rw-rw-r-- root/root 5466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k3y_6q4.sdf -rw-rw-r-- root/root 4415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k4i_6qb.sdf -rw-rw-r-- root/root 2722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k4l_6qn.sdf -rw-rw-r-- root/root 2952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k51_6qd.sdf -rw-rw-r-- root/root 5031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k5e_6qs.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k5n_6qh.sdf -rw-rw-r-- root/root 4644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k6e_6qp.sdf -rw-rw-r-- root/root 4108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k6j_6qq.sdf -rw-rw-r-- root/root 3683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k72_6qy.sdf -rw-rw-r-- root/root 4539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k74_6qw.sdf -rw-rw-r-- root/root 3398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k75_6qx.sdf -rw-rw-r-- root/root 4007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k76_6r1.sdf -rw-rw-r-- root/root 4748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k7g_6r0.sdf -rw-rw-r-- root/root 4747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k7i_6qz.sdf -rw-rw-r-- root/root 4228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k7k_6rj.sdf -rw-rw-r-- root/root 2221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k8n_6r6.sdf -rw-rw-r-- root/root 2218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k8o_6r7.sdf -rw-rw-r-- root/root 2415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k8p_6r8.sdf -rw-rw-r-- root/root 3568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k8v_6re.sdf -rw-rw-r-- root/root 3642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k8w_gjv.sdf -rw-rw-r-- root/root 3717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k8x_6zh.sdf -rw-rw-r-- root/root 1344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k8x_dxe.sdf -rw-rw-r-- root/root 4164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k9c_mlj.sdf -rw-rw-r-- root/root 4788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k9d_ce9.sdf -rw-rw-r-- root/root 4914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5k9r_6rc.sdf -rw-rw-r-- root/root 5067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kae_6rf.sdf -rw-rw-r-- root/root 5828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kao_g43.sdf -rw-rw-r-- root/root 2838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kap_6rh.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kb3_4ct.sdf -rw-rw-r-- root/root 4669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kbq_ipv.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kbr_ipw.sdf -rw-rw-r-- root/root 3847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kby_6rl.sdf -rw-rw-r-- root/root 5640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kbz_3b2.sdf -rw-rw-r-- root/root 4370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kcc_ob1.sdf -rw-rw-r-- root/root 4502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kcd_ob2.sdf -rw-rw-r-- root/root 4638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kce_ob3.sdf -rw-rw-r-- root/root 4311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kcf_ob5.sdf -rw-rw-r-- root/root 2156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kcp_pfb.sdf -rw-rw-r-- root/root 4745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kct_ob7.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kcv_6s1.sdf -rw-rw-r-- root/root 4981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kcw_ob9.sdf -rw-rw-r-- root/root 3903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kcx_6s3.sdf -rw-rw-r-- root/root 3376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kde_6rt.sdf -rw-rw-r-- root/root 3375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kdf_6ru.sdf -rw-rw-r-- root/root 3719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kdh_6rx.sdf -rw-rw-r-- root/root 2811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kdq_koh.sdf -rw-rw-r-- root/root 4794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kdr_yt5.sdf -rw-rw-r-- root/root 3861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ke0_6s9.sdf -rw-rw-r-- root/root 2719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ke2_6s4.sdf -rw-rw-r-- root/root 2972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ke3_6s5.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kfr_stp.sdf -rw-rw-r-- root/root 2450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kh3_6u6.sdf -rw-rw-r-- root/root 5423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kh5_6tc.sdf -rw-rw-r-- root/root 2794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kh7_6t7.sdf -rw-rw-r-- root/root 2797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kh9_6t5.sdf -rw-rw-r-- root/root 4826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5khm_xnh.sdf -rw-rw-r-- root/root 2422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5khp_7k9.sdf -rw-rw-r-- root/root 3108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5khx_6te.sdf -rw-rw-r-- root/root 3186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kir_rcx.sdf -rw-rw-r-- root/root 4074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kit_6ta.sdf -rw-rw-r-- root/root 5460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kj2_6tf.sdf -rw-rw-r-- root/root 1347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kjf_etf.sdf -rw-rw-r-- root/root 5175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kjk_6t1.sdf -rw-rw-r-- root/root 5664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kjm_6tm.sdf -rw-rw-r-- root/root 5368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kjn_6tl.sdf -rw-rw-r-- root/root 7564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kjt_wca.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kju_6to.sdf -rw-rw-r-- root/root 2664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kk4_44e.sdf -rw-rw-r-- root/root 6175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kkc_6v0.sdf -rw-rw-r-- root/root 5486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kkn_6u3.sdf -rw-rw-r-- root/root 4143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kks_6u1.sdf -rw-rw-r-- root/root 4846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kkt_6u2.sdf -rw-rw-r-- root/root 3443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kky_6ud.sdf -rw-rw-r-- root/root 4834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kly_6ur.sdf -rw-rw-r-- root/root 3303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5km4_iu.sdf -rw-rw-r-- root/root 4839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5km6_6us.sdf -rw-rw-r-- root/root 2867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5km8_l8p.sdf -rw-rw-r-- root/root 3914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kma_777.sdf -rw-rw-r-- root/root 5538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kmb_6ut.sdf -rw-rw-r-- root/root 4152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kmi_6ue.sdf -rw-rw-r-- root/root 3594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kmj_6uf.sdf -rw-rw-r-- root/root 3938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kmk_6ug.sdf -rw-rw-r-- root/root 3821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kml_6uh.sdf -rw-rw-r-- root/root 3792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kmm_6uj.sdf -rw-rw-r-- root/root 3925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kmn_6uk.sdf -rw-rw-r-- root/root 3333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kmo_6um.sdf -rw-rw-r-- root/root 5332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5knj_6ux.sdf -rw-rw-r-- root/root 3319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5knp_6w7.sdf -rw-rw-r-- root/root 3441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5knq_6w8.sdf -rw-rw-r-- root/root 4105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5knr_3l5.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kns_3l7.sdf -rw-rw-r-- root/root 3644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5knt_6wb.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5knu_6wa.sdf -rw-rw-r-- root/root 3920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5knv_6w9.sdf -rw-rw-r-- root/root 3761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5knx_6wc.sdf -rw-rw-r-- root/root 4700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kny_ypg.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ko1_6uy.sdf -rw-rw-r-- root/root 3651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kok_s9t.sdf -rw-rw-r-- root/root 4268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5koq_6vr.sdf -rw-rw-r-- root/root 5073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kos_6vs.sdf -rw-rw-r-- root/root 4943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kot_6vu.sdf -rw-rw-r-- root/root 3289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kp4_6vw.sdf -rw-rw-r-- root/root 4459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kpn_6wx.sdf -rw-rw-r-- root/root 4350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kpo_6wy.sdf -rw-rw-r-- root/root 4743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kpp_6wz.sdf -rw-rw-r-- root/root 4485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kpq_6x2.sdf -rw-rw-r-- root/root 2464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kpr_pau.sdf -rw-rw-r-- root/root 3536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kq5_6vt.sdf -rw-rw-r-- root/root 8134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kqd_pkz.sdf -rw-rw-r-- root/root 3445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kqg_6vx.sdf -rw-rw-r-- root/root 3057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kql_6vy.sdf -rw-rw-r-- root/root 5270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kr1_017.sdf -rw-rw-r-- root/root 2609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kr7_6x9.sdf -rw-rw-r-- root/root 4084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5krh_6wn.sdf -rw-rw-r-- root/root 4072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kri_6wm.sdf -rw-rw-r-- root/root 4848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5krj_6wp.sdf -rw-rw-r-- root/root 3634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5krk_6wq.sdf -rw-rw-r-- root/root 3509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kro_6ww.sdf -rw-rw-r-- root/root 4493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ksx_7am.sdf -rw-rw-r-- root/root 1696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ktp_itn.sdf -rw-rw-r-- root/root 1724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kts_ciz.sdf -rw-rw-r-- root/root 2965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ktu_6xb.sdf -rw-rw-r-- root/root 4173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ktw_6xg.sdf -rw-rw-r-- root/root 4456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ktx_6xh.sdf -rw-rw-r-- root/root 4475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ku8_6xk.sdf -rw-rw-r-- root/root 6160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ku9_6xj.sdf -rw-rw-r-- root/root 4533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kuk_dmu.sdf -rw-rw-r-- root/root 5317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kup_6xl.sdf -rw-rw-r-- root/root 4296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kv8_6y6.sdf -rw-rw-r-- root/root 4627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kv9_i57.sdf -rw-rw-r-- root/root 3680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kwh_6xt.sdf -rw-rw-r-- root/root 4607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kww_6ya.sdf -rw-rw-r-- root/root 3545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kx7_6yd.sdf -rw-rw-r-- root/root 3924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kx8_6ye.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kxa_6y7.sdf -rw-rw-r-- root/root 4633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kya_6y4.sdf -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kyj_6y8.sdf -rw-rw-r-- root/root 5419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kyv_slu.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kz0_6yl.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kz7_6z2.sdf -rw-rw-r-- root/root 4138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kz8_6z5.sdf -rw-rw-r-- root/root 3194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kzd_rcj.sdf -rw-rw-r-- root/root 4394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kzi_6yn.sdf -rw-rw-r-- root/root 3716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5kzq_6ys.sdf -rw-rw-r-- root/root 5371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l01_6z4.sdf -rw-rw-r-- root/root 2598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l03_6zb.sdf -rw-rw-r-- root/root 3457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l0b_6zm.sdf -rw-rw-r-- root/root 4768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l0e_6zn.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l0k_6zo.sdf -rw-rw-r-- root/root 3665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l0n_6za.sdf -rw-rw-r-- root/root 4144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l11_rjw.sdf -rw-rw-r-- root/root 3003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l13_6ze.sdf -rw-rw-r-- root/root 3528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l1j_6og.sdf -rw-rw-r-- root/root 3300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l1p_7pt.sdf -rw-rw-r-- root/root 3295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l1q_7df.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l1w_7pf.sdf -rw-rw-r-- root/root 6362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l2j_70e.sdf -rw-rw-r-- root/root 5213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l2k_6ul.sdf -rw-rw-r-- root/root 3852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l2m_6zy.sdf -rw-rw-r-- root/root 3470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l2n_6zu.sdf -rw-rw-r-- root/root 5093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l2s_6zv.sdf -rw-rw-r-- root/root 4499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l2t_6zz.sdf -rw-rw-r-- root/root 6292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l2y_70d.sdf -rw-rw-r-- root/root 6508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l2z_70c.sdf -rw-rw-r-- root/root 6288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l30_70a.sdf -rw-rw-r-- root/root 2319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l3a_6dp.sdf -rw-rw-r-- root/root 4780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l3e_e11.sdf -rw-rw-r-- root/root 3721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l3j_6g9.sdf -rw-rw-r-- root/root 3062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l42_6j6.sdf -rw-rw-r-- root/root 2807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l4i_6j3.sdf -rw-rw-r-- root/root 2938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l4n_6qt.sdf -rw-rw-r-- root/root 3736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l4q_lkb.sdf -rw-rw-r-- root/root 1939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l4s_6kx.sdf -rw-rw-r-- root/root 2755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l4t_6ls.sdf -rw-rw-r-- root/root 2899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l4u_6ks.sdf -rw-rw-r-- root/root 2755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l4v_6kw.sdf -rw-rw-r-- root/root 2899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l4w_6kh.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l4x_6ku.sdf -rw-rw-r-- root/root 2899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l4y_6k3.sdf -rw-rw-r-- root/root 4966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l57_6n3.sdf -rw-rw-r-- root/root 5028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l58_6mx.sdf -rw-rw-r-- root/root 5280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l6x_6sg.sdf -rw-rw-r-- root/root 4448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l72_6pf.sdf -rw-rw-r-- root/root 3490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l7e_6q0.sdf -rw-rw-r-- root/root 4384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l7g_6qe.sdf -rw-rw-r-- root/root 3943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l7h_6qg.sdf -rw-rw-r-- root/root 3833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l7i_vis.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l7p_buu.sdf -rw-rw-r-- root/root 3496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l7t_6qj.sdf -rw-rw-r-- root/root 3623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l7w_6qu.sdf -rw-rw-r-- root/root 3503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l7y_6qo.sdf -rw-rw-r-- root/root 2300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l8d_6rp.sdf -rw-rw-r-- root/root 2636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l8t_6rr.sdf -rw-rw-r-- root/root 3230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l8u_6rs.sdf -rw-rw-r-- root/root 2484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l96_6rz.sdf -rw-rw-r-- root/root 2738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l97_6rw.sdf -rw-rw-r-- root/root 3102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l98_6ry.sdf -rw-rw-r-- root/root 2961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l99_6s0.sdf -rw-rw-r-- root/root 3561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5l9z_gux.sdf -rw-rw-r-- root/root 4116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lav_6sk.sdf -rw-rw-r-- root/root 4899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5law_6sj.sdf -rw-rw-r-- root/root 4986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lay_6ss.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5laz_6st.sdf -rw-rw-r-- root/root 2563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lba_6sv.sdf -rw-rw-r-- root/root 3383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lbq_767.sdf -rw-rw-r-- root/root 2784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lbt_6t0.sdf -rw-rw-r-- root/root 3712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lbw_v0l.sdf -rw-rw-r-- root/root 4576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lby_6t2.sdf -rw-rw-r-- root/root 4740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lbz_6t3.sdf -rw-rw-r-- root/root 1960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ldg_it9.sdf -rw-rw-r-- root/root 3444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lfa_dlz.sdf -rw-rw-r-- root/root 5909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lga_6vh.sdf -rw-rw-r-- root/root 4378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lge_6vn.sdf -rw-rw-r-- root/root 3179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lgn_6w0.sdf -rw-rw-r-- root/root 5187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lgo_6vz.sdf -rw-rw-r-- root/root 1625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lgp_lpd.sdf -rw-rw-r-- root/root 3147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lgr_qvr.sdf -rw-rw-r-- root/root 4711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lgt_6w3.sdf -rw-rw-r-- root/root 4608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lgu_6w1.sdf -rw-rw-r-- root/root 5538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lh8_6wh.sdf -rw-rw-r-- root/root 4453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lhb_6wj.sdf -rw-rw-r-- root/root 4710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lhg_6x3.sdf -rw-rw-r-- root/root 5098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lhh_6x0.sdf -rw-rw-r-- root/root 5102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lhi_6x5.sdf -rw-rw-r-- root/root 4226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5li6_6xf.sdf -rw-rw-r-- root/root 3271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5li7_6xd.sdf -rw-rw-r-- root/root 4843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lia_6xn.sdf -rw-rw-r-- root/root 4868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lif_6xo.sdf -rw-rw-r-- root/root 3605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lix_mk4.sdf -rw-rw-r-- root/root 3818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5liy_dqp.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lj0_6xx.sdf -rw-rw-r-- root/root 5045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lj2_6xw.sdf -rw-rw-r-- root/root 3402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ljq_anv.sdf -rw-rw-r-- root/root 3398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ljt_a6n.sdf -rw-rw-r-- root/root 4587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lkj_6yb.sdf -rw-rw-r-- root/root 3894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lkr_6yc.sdf -rw-rw-r-- root/root 7117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lkt_bco.sdf -rw-rw-r-- root/root 6725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lkx_1vu.sdf -rw-rw-r-- root/root 5009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lkz_coo.sdf -rw-rw-r-- root/root 3239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ll5_6yh.sdf -rw-rw-r-- root/root 3382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lla_6yq.sdf -rw-rw-r-- root/root 3723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5llc_v26.sdf -rw-rw-r-- root/root 3645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lle_v51.sdf -rw-rw-r-- root/root 3514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5llh_v49.sdf -rw-rw-r-- root/root 4139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5llo_5ef.sdf -rw-rw-r-- root/root 4273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5llp_6z9.sdf -rw-rw-r-- root/root 4011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lls_6z8.sdf -rw-rw-r-- root/root 3383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lma_6zg.sdf -rw-rw-r-- root/root 3910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lmb_6zf.sdf -rw-rw-r-- root/root 3591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lmd_rc4.sdf -rw-rw-r-- root/root 4549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lmk_6zk.sdf -rw-rw-r-- root/root 5569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ln2_6zt.sdf -rw-rw-r-- root/root 4695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lny_70k.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lnz_70z.sdf -rw-rw-r-- root/root 4384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lo1_70l.sdf -rw-rw-r-- root/root 4183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lo5_70m.sdf -rw-rw-r-- root/root 4582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lo6_70o.sdf -rw-rw-r-- root/root 6195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lp1_71h.sdf -rw-rw-r-- root/root 4149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lp6_71p.sdf -rw-rw-r-- root/root 3289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lpk_xdm.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lpl_71x.sdf -rw-rw-r-- root/root 3878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lpm_71y.sdf -rw-rw-r-- root/root 4333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lpo_725.sdf -rw-rw-r-- root/root 4178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lpq_72c.sdf -rw-rw-r-- root/root 4583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lpt_726.sdf -rw-rw-r-- root/root 5354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lqc_542.sdf -rw-rw-r-- root/root 3953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lqf_4sp.sdf -rw-rw-r-- root/root 5413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lqk_72m.sdf -rw-rw-r-- root/root 3071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lqn_72o.sdf -rw-rw-r-- root/root 3819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lqq_72p.sdf -rw-rw-r-- root/root 5391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lqr_72w.sdf -rw-rw-r-- root/root 3771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lr6_731.sdf -rw-rw-r-- root/root 4899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lr7_73j.sdf -rw-rw-r-- root/root 3871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lre_ks3.sdf -rw-rw-r-- root/root 4662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lrl_73s.sdf -rw-rw-r-- root/root 4255 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ls1_73z.sdf -rw-rw-r-- root/root 5152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ls6_74d.sdf -rw-rw-r-- root/root 4758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lsg_qzq.sdf -rw-rw-r-- root/root 2839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lu6_i22.sdf -rw-rw-r-- root/root 2841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lu8_5kn.sdf -rw-rw-r-- root/root 2548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lu9_3y7.sdf -rw-rw-r-- root/root 4471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lv2_lhb.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lv2_sao.sdf -rw-rw-r-- root/root 5408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lv3_lhf.sdf -rw-rw-r-- root/root 4283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lvd_79f.sdf -rw-rw-r-- root/root 3358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lvo_78w.sdf -rw-rw-r-- root/root 2422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lvr_78y.sdf -rw-rw-r-- root/root 3307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lw9_5uj.sdf -rw-rw-r-- root/root 3682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lwb_79h.sdf -rw-rw-r-- root/root 4389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lwd_79e.sdf -rw-rw-r-- root/root 4149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lwe_79k.sdf -rw-rw-r-- root/root 4551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lwm_79t.sdf -rw-rw-r-- root/root 4747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lwn_79r.sdf -rw-rw-r-- root/root 5357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lwr_7b2.sdf -rw-rw-r-- root/root 2309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lwt_7b3.sdf -rw-rw-r-- root/root 5303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lx3_7a1.sdf -rw-rw-r-- root/root 7004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lx5_7a0.sdf -rw-rw-r-- root/root 1726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lx5_dpo.sdf -rw-rw-r-- root/root 2854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lx6_78p.sdf -rw-rw-r-- root/root 3776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lxc_7aa.sdf -rw-rw-r-- root/root 3905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lxd_7a7.sdf -rw-rw-r-- root/root 4590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lxp_7ag.sdf -rw-rw-r-- root/root 2315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lyd_7b0.sdf -rw-rw-r-- root/root 4476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lyf_7b6.sdf -rw-rw-r-- root/root 5275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lyh_7b8.sdf -rw-rw-r-- root/root 4941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lyi_t4f.sdf -rw-rw-r-- root/root 3271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lyj_7ba.sdf -rw-rw-r-- root/root 4862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lyl_t5f.sdf -rw-rw-r-- root/root 4292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lyq_7be.sdf -rw-rw-r-- root/root 3426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lyw_7bh.sdf -rw-rw-r-- root/root 3794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lyx_7bf.sdf -rw-rw-r-- root/root 3266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lyy_7bj.sdf -rw-rw-r-- root/root 2435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lz2_7bx.sdf -rw-rw-r-- root/root 3073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lz4_7bw.sdf -rw-rw-r-- root/root 3674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lz5_7k4.sdf -rw-rw-r-- root/root 3675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lz7_7bk.sdf -rw-rw-r-- root/root 3331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lz8_7bp.sdf -rw-rw-r-- root/root 3958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lz9_7br.sdf -rw-rw-r-- root/root 6072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lzg_7bn.sdf -rw-rw-r-- root/root 7256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lzi_7bq.sdf -rw-rw-r-- root/root 7257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lzi_7db.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5lzj_7bt.sdf -rw-rw-r-- root/root 4835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m05_52e.sdf -rw-rw-r-- root/root 6206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m0d_7c8.sdf -rw-rw-r-- root/root 4519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m0e_7cr.sdf -rw-rw-r-- root/root 6378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m0m_7cf.sdf -rw-rw-r-- root/root 6108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m0s_7cw.sdf -rw-rw-r-- root/root 3316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m12_7d0.sdf -rw-rw-r-- root/root 2356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m16_7d2.sdf -rw-rw-r-- root/root 5648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m1e_7d9.sdf -rw-rw-r-- root/root 6973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m23_7dc.sdf -rw-rw-r-- root/root 6158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m25_7du.sdf -rw-rw-r-- root/root 3876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m2f_uv8.sdf -rw-rw-r-- root/root 2824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m2v_7e5.sdf -rw-rw-r-- root/root 3282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m44_7ey.sdf -rw-rw-r-- root/root 3391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m4i_7fc.sdf -rw-rw-r-- root/root 3850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m51_nu6.sdf -rw-rw-r-- root/root 4089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m53_7gj.sdf -rw-rw-r-- root/root 3391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m55_7gg.sdf -rw-rw-r-- root/root 5581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m5q_7k1.sdf -rw-rw-r-- root/root 4953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m6e_7ht.sdf -rw-rw-r-- root/root 4464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m6f_7hu.sdf -rw-rw-r-- root/root 5045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m6h_7j6.sdf -rw-rw-r-- root/root 4977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m6m_7h8.sdf -rw-rw-r-- root/root 5221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m6n_7h9.sdf -rw-rw-r-- root/root 4062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m6u_7ka.sdf -rw-rw-r-- root/root 4067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m7g_fb7.sdf -rw-rw-r-- root/root 5437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m7m_7hr.sdf -rw-rw-r-- root/root 4004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m7u_xha.sdf -rw-rw-r-- root/root 3981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m8d_ugi.sdf -rw-rw-r-- root/root 3981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m8g_918.sdf -rw-rw-r-- root/root 2334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m8r_mms.sdf -rw-rw-r-- root/root 1747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m8t_0tr.sdf -rw-rw-r-- root/root 4905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m96_q6y.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m9w_7gr.sdf -rw-rw-r-- root/root 4091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5m9x_7kp.sdf -rw-rw-r-- root/root 4279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ma7_7k0.sdf -rw-rw-r-- root/root 5417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5maf_xin.sdf -rw-rw-r-- root/root 4937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mag_7kc.sdf -rw-rw-r-- root/root 4815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mah_7kd.sdf -rw-rw-r-- root/root 2202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mam_sro.sdf -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5man_ngr.sdf -rw-rw-r-- root/root 2568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mar_7ke.sdf -rw-rw-r-- root/root 5115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mar_ar6.sdf -rw-rw-r-- root/root 5044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mat_7kj.sdf -rw-rw-r-- root/root 2444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mb0_f63.sdf -rw-rw-r-- root/root 2805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mb0_f91.sdf -rw-rw-r-- root/root 7237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mes_7lt.sdf -rw-rw-r-- root/root 6753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mev_7lw.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mex_pap.sdf -rw-rw-r-- root/root 2950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mf6_7m2.sdf -rw-rw-r-- root/root 2887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mfp_7m5.sdf -rw-rw-r-- root/root 2426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mfr_7mk.sdf -rw-rw-r-- root/root 3115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mfs_7ml.sdf -rw-rw-r-- root/root 1486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mfs_mli.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mft_7mf.sdf -rw-rw-r-- root/root 3472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mfz_7m9.sdf -rw-rw-r-- root/root 4465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mg2_7m8.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mge_7mx.sdf -rw-rw-r-- root/root 1989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mgg_7mu.sdf -rw-rw-r-- root/root 2203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mgk_7mw.sdf -rw-rw-r-- root/root 2524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mgm_7mz.sdf -rw-rw-r-- root/root 4464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mgn_7n2.sdf -rw-rw-r-- root/root 2714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mhb_pbg.sdf -rw-rw-r-- root/root 5745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mhp_7nb.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mhq_8qt.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mih_7nu.sdf -rw-rw-r-- root/root 5753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mim_1n.sdf -rw-rw-r-- root/root 3592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mj5_7o0.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mj6_7o2.sdf -rw-rw-r-- root/root 3519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mja_7o3.sdf -rw-rw-r-- root/root 3603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mk4_i5w.sdf -rw-rw-r-- root/root 3606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mkj_4cu.sdf -rw-rw-r-- root/root 4784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mks_ti8.sdf -rw-rw-r-- root/root 3124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mku_j57.sdf -rw-rw-r-- root/root 1991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mkx_82i.sdf -rw-rw-r-- root/root 3216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mky_i0d.sdf -rw-rw-r-- root/root 2744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ml0_p2l.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ml2_nh6.sdf -rw-rw-r-- root/root 5793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ml3_dl3.sdf -rw-rw-r-- root/root 6082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ml4_rrq.sdf -rw-rw-r-- root/root 5959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ml6_9gd.sdf -rw-rw-r-- root/root 5513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ml8_v98.sdf -rw-rw-r-- root/root 3463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mlj_9st.sdf -rw-rw-r-- root/root 4248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mma_vht.sdf -rw-rw-r-- root/root 4376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mmb_ouy.sdf -rw-rw-r-- root/root 3787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mme_8q6.sdf -rw-rw-r-- root/root 2787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mmf_jmb.sdf -rw-rw-r-- root/root 3704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mmg_ut0.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mmn_o54.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mmo_9jg.sdf -rw-rw-r-- root/root 4043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mmp_g3z.sdf -rw-rw-r-- root/root 3006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mmr_h83.sdf -rw-rw-r-- root/root 3604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mmw_sjz.sdf -rw-rw-r-- root/root 4392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mnr_jc2.sdf -rw-rw-r-- root/root 4318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mo4_ay7.sdf -rw-rw-r-- root/root 5262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mo4_nil.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mo5_4ih.sdf -rw-rw-r-- root/root 2998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mo7_yra.sdf -rw-rw-r-- root/root 4668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mo8_c98.sdf -rw-rw-r-- root/root 2313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5moe_oqc.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5moh_ytx.sdf -rw-rw-r-- root/root 1806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mot_hbd.sdf -rw-rw-r-- root/root 1970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mov_hc4.sdf -rw-rw-r-- root/root 1720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mow_br9.sdf -rw-rw-r-- root/root 2565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mp8_rkn.sdf -rw-rw-r-- root/root 2673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mpj_j2p.sdf -rw-rw-r-- root/root 2356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mpz_4i8.sdf -rw-rw-r-- root/root 1895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mqe_pku.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mqg_f31.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mqk_qpr.sdf -rw-rw-r-- root/root 4835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mql_g65.sdf -rw-rw-r-- root/root 5298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mqv_d5q.sdf -rw-rw-r-- root/root 3555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mrd_s26.sdf -rw-rw-r-- root/root 1972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mrh_q9z.sdf -rw-rw-r-- root/root 2471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mri_q9y.sdf -rw-rw-r-- root/root 2799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mrm_q9t.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mro_q9p.sdf -rw-rw-r-- root/root 3056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mrp_6bc.sdf -rw-rw-r-- root/root 3712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mt0_qjs.sdf -rw-rw-r-- root/root 2985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mt4_m7o.sdf -rw-rw-r-- root/root 3982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mtq_xt3.sdf -rw-rw-r-- root/root 3882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mtr_xt0.sdf -rw-rw-r-- root/root 4522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mts_xka.sdf -rw-rw-r-- root/root 3777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mut_hyt.sdf -rw-rw-r-- root/root 3657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mvc_y9b.sdf -rw-rw-r-- root/root 3880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mvd_u91.sdf -rw-rw-r-- root/root 3593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mw3_5jj.sdf -rw-rw-r-- root/root 2610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mw3_5jt.sdf -rw-rw-r-- root/root 6091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mw4_5ju.sdf -rw-rw-r-- root/root 3289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mw6_rc0.sdf -rw-rw-r-- root/root 4372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mw8_5my.sdf -rw-rw-r-- root/root 7664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mwj_ebu.sdf -rw-rw-r-- root/root 2096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mwo_j6w.sdf -rw-rw-r-- root/root 2486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mxk_zha.sdf -rw-rw-r-- root/root 3010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mxv_k3t.sdf -rw-rw-r-- root/root 3734 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mxx_w4a.sdf -rw-rw-r-- root/root 4905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5my8_rxz.sdf -rw-rw-r-- root/root 3822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5myg_ls8.sdf -rw-rw-r-- root/root 3277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5myl_q2n.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mym_hyv.sdf -rw-rw-r-- root/root 2938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5myn_zuf.sdf -rw-rw-r-- root/root 3305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5myr_udy.sdf -rw-rw-r-- root/root 3395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mys_yp6.sdf -rw-rw-r-- root/root 3265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5myt_zqc.sdf -rw-rw-r-- root/root 2681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5myw_wcu.sdf -rw-rw-r-- root/root 2921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mzc_8eq.sdf -rw-rw-r-- root/root 3063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mzi_fyk.sdf -rw-rw-r-- root/root 2161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mzj_tep.sdf -rw-rw-r-- root/root 3295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5mzk_ok1.sdf -rw-rw-r-- root/root 4237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n0d_8f2.sdf -rw-rw-r-- root/root 4229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n16_8fn.sdf -rw-rw-r-- root/root 3683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n17_8fk.sdf -rw-rw-r-- root/root 3594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n18_8hz.sdf -rw-rw-r-- root/root 4786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n1v_8gq.sdf -rw-rw-r-- root/root 2783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n1x_8hh.sdf -rw-rw-r-- root/root 4557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n21_8hn.sdf -rw-rw-r-- root/root 4508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n2d_8j8.sdf -rw-rw-r-- root/root 4942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n2f_8hw.sdf -rw-rw-r-- root/root 4121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n2r_8jn.sdf -rw-rw-r-- root/root 4078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n2s_8k8.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n2t_8kk.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n2x_8kn.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n2z_8jh.sdf -rw-rw-r-- root/root 4512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n31_8lb.sdf -rw-rw-r-- root/root 3933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n34_8jq.sdf -rw-rw-r-- root/root 3872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n3v_8l5.sdf -rw-rw-r-- root/root 2759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n3w_8kw.sdf -rw-rw-r-- root/root 4278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n3y_8l2.sdf -rw-rw-r-- root/root 3991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n49_8lw.sdf -rw-rw-r-- root/root 2193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n53_8nb.sdf -rw-rw-r-- root/root 2915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n5j_8nt.sdf -rw-rw-r-- root/root 2569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n5k_8nw.sdf -rw-rw-r-- root/root 4122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n69_2ow.sdf -rw-rw-r-- root/root 3494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n6s_8p5.sdf -rw-rw-r-- root/root 2317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n6t_8p2.sdf -rw-rw-r-- root/root 2693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n7t_jhy.sdf -rw-rw-r-- root/root 4223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n7v_8pt.sdf -rw-rw-r-- root/root 3773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n84_8q5.sdf -rw-rw-r-- root/root 1583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n84_pg0.sdf -rw-rw-r-- root/root 5656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n87_n66.sdf -rw-rw-r-- root/root 2121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n87_pgf.sdf -rw-rw-r-- root/root 4932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n8c_8q8.sdf -rw-rw-r-- root/root 3474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n93_8qe.sdf -rw-rw-r-- root/root 5416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5n9s_8qw.sdf -rw-rw-r-- root/root 7162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5na0_8qz.sdf -rw-rw-r-- root/root 2708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nab_8rk.sdf -rw-rw-r-- root/root 5298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nad_8rh.sdf -rw-rw-r-- root/root 3666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nae_8r8.sdf -rw-rw-r-- root/root 3523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nag_8r5.sdf -rw-rw-r-- root/root 3658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nah_8rb.sdf -rw-rw-r-- root/root 6673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5naj_8se.sdf -rw-rw-r-- root/root 2471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nak_kyn.sdf -rw-rw-r-- root/root 4704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nar_8rw.sdf -rw-rw-r-- root/root 4906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5naw_8rz.sdf -rw-rw-r-- root/root 4863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nb6_8s2.sdf -rw-rw-r-- root/root 4480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nb7_8nq.sdf -rw-rw-r-- root/root 4853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nba_8s5.sdf -rw-rw-r-- root/root 6614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nbf_8s8.sdf -rw-rw-r-- root/root 6813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ncf_8t5.sdf -rw-rw-r-- root/root 4200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ncy_8tk.sdf -rw-rw-r-- root/root 4691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ncz_8tn.sdf -rw-rw-r-- root/root 2718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ndd_8tz.sdf -rw-rw-r-- root/root 5181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ndz_8un.sdf -rw-rw-r-- root/root 4396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nev_72l.sdf -rw-rw-r-- root/root 4338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nf7_8vz.sdf -rw-rw-r-- root/root 5155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nf9_8vw.sdf -rw-rw-r-- root/root 5394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nfa_8vq.sdf -rw-rw-r-- root/root 6202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nfb_8vt.sdf -rw-rw-r-- root/root 4630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nfp_8w5.sdf -rw-rw-r-- root/root 4828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nft_8w8.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ng1_8wb.sdf -rw-rw-r-- root/root 2488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ng9_8vn.sdf -rw-rw-r-- root/root 4475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ngb_8wh.sdf -rw-rw-r-- root/root 2084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ngr_8wt.sdf -rw-rw-r-- root/root 2894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ngs_8ww.sdf -rw-rw-r-- root/root 2576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ngt_8wz.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ngu_8x2.sdf -rw-rw-r-- root/root 1971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ngz_2bg.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nhf_8x5.sdf -rw-rw-r-- root/root 3897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nhh_8xh.sdf -rw-rw-r-- root/root 3925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nhj_8xe.sdf -rw-rw-r-- root/root 4209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nhl_8xb.sdf -rw-rw-r-- root/root 4206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nho_8xn.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nhp_8xk.sdf -rw-rw-r-- root/root 3430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nhv_8qb.sdf -rw-rw-r-- root/root 3225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nhy_8xt.sdf -rw-rw-r-- root/root 3414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ni6_dj3.sdf -rw-rw-r-- root/root 2308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nio_8yh.sdf -rw-rw-r-- root/root 5888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5niu_8yz.sdf -rw-rw-r-- root/root 6206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nix_8yq.sdf -rw-rw-r-- root/root 3350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5niz_8yt.sdf -rw-rw-r-- root/root 3554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nj0_8yw.sdf -rw-rw-r-- root/root 5828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5njr_cto.sdf -rw-rw-r-- root/root 4496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5njz_8zh.sdf -rw-rw-r-- root/root 4501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nk0_91e.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nk1_90n.sdf -rw-rw-r-- root/root 4692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nk2_8zz.sdf -rw-rw-r-- root/root 4427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nk3_92q.sdf -rw-rw-r-- root/root 4795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nk4_90e.sdf -rw-rw-r-- root/root 4595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nk5_90k.sdf -rw-rw-r-- root/root 4634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nk6_90w.sdf -rw-rw-r-- root/root 5109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nk8_90z.sdf -rw-rw-r-- root/root 4799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nk9_912.sdf -rw-rw-r-- root/root 4877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nka_91h.sdf -rw-rw-r-- root/root 4814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nkb_8zt.sdf -rw-rw-r-- root/root 4662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nkc_90t.sdf -rw-rw-r-- root/root 4776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nkd_91k.sdf -rw-rw-r-- root/root 4633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nke_90b.sdf -rw-rw-r-- root/root 4976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nkf_8zn.sdf -rw-rw-r-- root/root 4731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nkg_8zk.sdf -rw-rw-r-- root/root 5313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nkh_8zq.sdf -rw-rw-r-- root/root 4612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nki_8zw.sdf -rw-rw-r-- root/root 4944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nkl_91t.sdf -rw-rw-r-- root/root 4806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nky_91w.sdf -rw-rw-r-- root/root 4811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nma_9cw.sdf -rw-rw-r-- root/root 2410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nn6_mig.sdf -rw-rw-r-- root/root 6034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nn8_acr.sdf -rw-rw-r-- root/root 4484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5no1_xz4.sdf -rw-rw-r-- root/root 4770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nob_92t.sdf -rw-rw-r-- root/root 3112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5non_93h.sdf -rw-rw-r-- root/root 1925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5noy_93k.sdf -rw-rw-r-- root/root 2042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5noz_l99.sdf -rw-rw-r-- root/root 2795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5npc_94e.sdf -rw-rw-r-- root/root 2243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5npd_94b.sdf -rw-rw-r-- root/root 2244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5npe_948.sdf -rw-rw-r-- root/root 4074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nqe_94z.sdf -rw-rw-r-- root/root 3413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nrd_lat.sdf -rw-rw-r-- root/root 3634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nrw_96n.sdf -rw-rw-r-- root/root 6499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ntk_99n.sdf -rw-rw-r-- root/root 4772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ntn_98h.sdf -rw-rw-r-- root/root 4635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ntp_98e.sdf -rw-rw-r-- root/root 5259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ntw_98n.sdf -rw-rw-r-- root/root 4902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nu1_8yb.sdf -rw-rw-r-- root/root 3889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nu5_99e.sdf -rw-rw-r-- root/root 2993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nuo_c8e.sdf -rw-rw-r-- root/root 4496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nxc_9db.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nxd_9d8.sdf -rw-rw-r-- root/root 2175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nzo_9ez.sdf -rw-rw-r-- root/root 1825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nzp_9ew.sdf -rw-rw-r-- root/root 4376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5nzy_ce3.sdf -rw-rw-r-- root/root 2436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5o0a_9fh.sdf -rw-rw-r-- root/root 2233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5o0b_9fe.sdf -rw-rw-r-- root/root 2426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5o0c_9f8.sdf -rw-rw-r-- root/root 2809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5o0d_9f5.sdf -rw-rw-r-- root/root 2294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5o0f_iop.sdf -rw-rw-r-- root/root 3133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5o0h_9fn.sdf -rw-rw-r-- root/root 4612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5o13_9g5.sdf -rw-rw-r-- root/root 2388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5o1n_9h8.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5o2d_9hh.sdf -rw-rw-r-- root/root 2609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5o4f_8ve.sdf -rw-rw-r-- root/root 3874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5o52_9le.sdf -rw-rw-r-- root/root 3786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5o7a_9n5.sdf -rw-rw-r-- root/root 4412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5o83_9nq.sdf -rw-rw-r-- root/root 5771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5o91_c5n.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5oe3_3uk.sdf -rw-rw-r-- root/root 4582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5oe6_9sn.sdf -rw-rw-r-- root/root 3936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5oer_do3.sdf -rw-rw-r-- root/root 1933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ofm_9tt.sdf -rw-rw-r-- root/root 1941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ofv_9tz.sdf -rw-rw-r-- root/root 1952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ofw_9tw.sdf -rw-rw-r-- root/root 6472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ohj_9ve.sdf -rw-rw-r-- root/root 4358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5omw_lss.sdf -rw-rw-r-- root/root 4343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5on0_9yh.sdf -rw-rw-r-- root/root 4228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5on1_9yk.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5on3_9yn.sdf -rw-rw-r-- root/root 5371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5one_9yq.sdf -rw-rw-r-- root/root 3756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5onh_vrt.sdf -rw-rw-r-- root/root 4353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5op4_a0t.sdf -rw-rw-r-- root/root 3991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5op6_a0w.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5op7_a1k.sdf -rw-rw-r-- root/root 3416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5op8_a1h.sdf -rw-rw-r-- root/root 4065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5opb_a1n.sdf -rw-rw-r-- root/root 3975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5opr_a3e.sdf -rw-rw-r-- root/root 3655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5opv_a3h.sdf -rw-rw-r-- root/root 4087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5oq4_a3w.sdf -rw-rw-r-- root/root 3649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5or8_jr4.sdf -rw-rw-r-- root/root 3979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5or9_jr5.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5orb_jr6.sdf -rw-rw-r-- root/root 4078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5osk_a9q.sdf -rw-rw-r-- root/root 2671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ot8_6db.sdf -rw-rw-r-- root/root 2562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ot9_aoz.sdf -rw-rw-r-- root/root 2401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ota_aqq.sdf -rw-rw-r-- root/root 2224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5otc_aqk.sdf -rw-rw-r-- root/root 4263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ov7_6fs.sdf -rw-rw-r-- root/root 3881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ov9_cvi.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ovr_axk.sdf -rw-rw-r-- root/root 4031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ovx_ay5.sdf -rw-rw-r-- root/root 3738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ow1_ay8.sdf -rw-rw-r-- root/root 4140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5owq_38o.sdf -rw-rw-r-- root/root 4624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5owr_1n1.sdf -rw-rw-r-- root/root 2822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ox5_b2e.sdf -rw-rw-r-- root/root 3113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ox6_a1z.sdf -rw-rw-r-- root/root 4302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5oxg_b4b.sdf -rw-rw-r-- root/root 4346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5oxj_nzi.sdf -rw-rw-r-- root/root 3195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5oy4_b4k.sdf -rw-rw-r-- root/root 3303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5oy6_b4e.sdf -rw-rw-r-- root/root 3842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p2p_dhg.sdf -rw-rw-r-- root/root 2425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p8w_o01.sdf -rw-rw-r-- root/root 4837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p8x_75z.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p8y_763.sdf -rw-rw-r-- root/root 4393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p8z_766.sdf -rw-rw-r-- root/root 4554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p90_769.sdf -rw-rw-r-- root/root 4586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p91_76b.sdf -rw-rw-r-- root/root 4393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p92_76g.sdf -rw-rw-r-- root/root 4450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p93_76s.sdf -rw-rw-r-- root/root 5012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p94_76t.sdf -rw-rw-r-- root/root 4513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p95_77g.sdf -rw-rw-r-- root/root 4516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p96_77h.sdf -rw-rw-r-- root/root 3618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p97_77k.sdf -rw-rw-r-- root/root 3127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p98_77l.sdf -rw-rw-r-- root/root 4439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p99_77m.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9a_77n.sdf -rw-rw-r-- root/root 4222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9b_77p.sdf -rw-rw-r-- root/root 4412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9c_77q.sdf -rw-rw-r-- root/root 3929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9d_77r.sdf -rw-rw-r-- root/root 4440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9e_77s.sdf -rw-rw-r-- root/root 5888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9f_2vl.sdf -rw-rw-r-- root/root 6063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9g_7g6.sdf -rw-rw-r-- root/root 6172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9h_7g7.sdf -rw-rw-r-- root/root 4621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9i_1e8.sdf -rw-rw-r-- root/root 4320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9l_7g9.sdf -rw-rw-r-- root/root 5157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9n_7je.sdf -rw-rw-r-- root/root 3907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9o_7jf.sdf -rw-rw-r-- root/root 3757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9p_7jg.sdf -rw-rw-r-- root/root 3007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9q_7jh.sdf -rw-rw-r-- root/root 3107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9r_7jj.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9s_7jk.sdf -rw-rw-r-- root/root 2955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9t_7jd.sdf -rw-rw-r-- root/root 2260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9u_7jl.sdf -rw-rw-r-- root/root 3770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9u_sah.sdf -rw-rw-r-- root/root 2973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9v_7jm.sdf -rw-rw-r-- root/root 5430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9w_7jn.sdf -rw-rw-r-- root/root 1636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9w_d1d.sdf -rw-rw-r-- root/root 5262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9x_7jo.sdf -rw-rw-r-- root/root 4617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9y_7jp.sdf -rw-rw-r-- root/root 2209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9y_nhe.sdf -rw-rw-r-- root/root 2743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5p9z_7jq.sdf -rw-rw-r-- root/root 2456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pa0_7jr.sdf -rw-rw-r-- root/root 2740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pa1_7js.sdf -rw-rw-r-- root/root 3097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pa2_7ju.sdf -rw-rw-r-- root/root 3202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pa3_7jv.sdf -rw-rw-r-- root/root 2745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pa6_7jw.sdf -rw-rw-r-- root/root 2192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pa7_7jx.sdf -rw-rw-r-- root/root 4548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pab_7xd.sdf -rw-rw-r-- root/root 1928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pah_ldp.sdf -rw-rw-r-- root/root 3778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pgu_8k4.sdf -rw-rw-r-- root/root 3944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pgv_8k7.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pgw_8ka.sdf -rw-rw-r-- root/root 3794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pgx_8kd.sdf -rw-rw-r-- root/root 3693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pgz_8kg.sdf -rw-rw-r-- root/root 4928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pzl_8xv.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pzm_8xs.sdf -rw-rw-r-- root/root 4535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pzn_8xp.sdf -rw-rw-r-- root/root 5436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pzo_8xm.sdf -rw-rw-r-- root/root 5429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5pzp_8xj.sdf -rw-rw-r-- root/root 5665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0d_9ey.sdf -rw-rw-r-- root/root 5936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0e_9fd.sdf -rw-rw-r-- root/root 5954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0f_9fa.sdf -rw-rw-r-- root/root 5917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0g_9f7.sdf -rw-rw-r-- root/root 5484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0h_9f1.sdf -rw-rw-r-- root/root 4379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0i_0x0.sdf -rw-rw-r-- root/root 4918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0j_9kv.sdf -rw-rw-r-- root/root 4567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0l_9ky.sdf -rw-rw-r-- root/root 5453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0m_9l1.sdf -rw-rw-r-- root/root 5183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0n_9l4.sdf -rw-rw-r-- root/root 5258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0o_9l7.sdf -rw-rw-r-- root/root 4919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0p_9la.sdf -rw-rw-r-- root/root 5043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0q_9ld.sdf -rw-rw-r-- root/root 4909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0r_9lg.sdf -rw-rw-r-- root/root 4939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0s_9lj.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0t_9lm.sdf -rw-rw-r-- root/root 5338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0u_9lp.sdf -rw-rw-r-- root/root 4829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0v_9ls.sdf -rw-rw-r-- root/root 4939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0w_9lv.sdf -rw-rw-r-- root/root 5169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0y_9ly.sdf -rw-rw-r-- root/root 4383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q0z_9m1.sdf -rw-rw-r-- root/root 4924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q10_9m4.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q11_9m7.sdf -rw-rw-r-- root/root 3854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q12_9ma.sdf -rw-rw-r-- root/root 4754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q13_9md.sdf -rw-rw-r-- root/root 5048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q14_9mm.sdf -rw-rw-r-- root/root 4958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q15_9mp.sdf -rw-rw-r-- root/root 4939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q16_9ms.sdf -rw-rw-r-- root/root 4713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q17_9mv.sdf -rw-rw-r-- root/root 5126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q18_9my.sdf -rw-rw-r-- root/root 4767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q19_9n1.sdf -rw-rw-r-- root/root 5021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q1a_9n4.sdf -rw-rw-r-- root/root 5524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q1b_9n7.sdf -rw-rw-r-- root/root 5194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q1c_9na.sdf -rw-rw-r-- root/root 4705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q1d_9nd.sdf -rw-rw-r-- root/root 5024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q1e_9ng.sdf -rw-rw-r-- root/root 5328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q1f_9nj.sdf -rw-rw-r-- root/root 3840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q1g_9nm.sdf -rw-rw-r-- root/root 4938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q1h_9np.sdf -rw-rw-r-- root/root 4222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5q1i_9o1.sdf -rw-rw-r-- root/root 6198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qbu_b8j.sdf -rw-rw-r-- root/root 6184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qbw_b8s.sdf -rw-rw-r-- root/root 6184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qbx_b8v.sdf -rw-rw-r-- root/root 6139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qby_n2a.sdf -rw-rw-r-- root/root 6178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qbz_b8y.sdf -rw-rw-r-- root/root 6160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qc0_bqj.sdf -rw-rw-r-- root/root 6082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qc1_b9s.sdf -rw-rw-r-- root/root 6530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qc2_bqp.sdf -rw-rw-r-- root/root 5870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qc3_b9y.sdf -rw-rw-r-- root/root 6102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qc4_bc7.sdf -rw-rw-r-- root/root 6158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qc5_baj.sdf -rw-rw-r-- root/root 6730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qc6_bcj.sdf -rw-rw-r-- root/root 6269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qc7_bqs.sdf -rw-rw-r-- root/root 6149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qc8_bfv.sdf -rw-rw-r-- root/root 5683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qc9_bg7.sdf -rw-rw-r-- root/root 6677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qca_bgj.sdf -rw-rw-r-- root/root 6853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qcb_bhv.sdf -rw-rw-r-- root/root 5684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qcc_bgy.sdf -rw-rw-r-- root/root 6582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qcd_bhj.sdf -rw-rw-r-- root/root 6283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qcf_bjd.sdf -rw-rw-r-- root/root 6285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qcg_bjj.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qch_bjs.sdf -rw-rw-r-- root/root 6387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qci_bjv.sdf -rw-rw-r-- root/root 5927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qcj_bjy.sdf -rw-rw-r-- root/root 5352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qck_buv.sdf -rw-rw-r-- root/root 5242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qcl_buy.sdf -rw-rw-r-- root/root 5626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qcm_bvj.sdf -rw-rw-r-- root/root 6795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5qcn_bvm.sdf -rw-rw-r-- root/root 3942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5std_unn.sdf -rw-rw-r-- root/root 4514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5sun_70q.sdf -rw-rw-r-- root/root 2610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5suw_70g.sdf -rw-rw-r-- root/root 2667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5sux_70h.sdf -rw-rw-r-- root/root 3555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5svf_70p.sdf -rw-rw-r-- root/root 5624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5svr_71c.sdf -rw-rw-r-- root/root 2073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5sw3_46l.sdf -rw-rw-r-- root/root 1715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5swp_70v.sdf -rw-rw-r-- root/root 1462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5swt_71a.sdf -rw-rw-r-- root/root 1599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5sx8_71m.sdf -rw-rw-r-- root/root 1695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5sxb_soa.sdf -rw-rw-r-- root/root 1910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5sxd_71f.sdf -rw-rw-r-- root/root 1595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5sxi_71j.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5sxn_74u.sdf -rw-rw-r-- root/root 3680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5sy2_74v.sdf -rw-rw-r-- root/root 3105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5sy3_74z.sdf -rw-rw-r-- root/root 3963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5sym_71q.sdf -rw-rw-r-- root/root 4145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5syz_71w.sdf -rw-rw-r-- root/root 3388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5sz9_74y.sdf -rw-rw-r-- root/root 6301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5szt_72j.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t0l_73x.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t0p_73a.sdf -rw-rw-r-- root/root 3835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t0t_72q.sdf -rw-rw-r-- root/root 5924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t18_73t.sdf -rw-rw-r-- root/root 3441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t19_73u.sdf -rw-rw-r-- root/root 4902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t1a_73r.sdf -rw-rw-r-- root/root 3554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t1a_vt5.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t1h_75e.sdf -rw-rw-r-- root/root 4284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t1s_76q.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t1t_76p.sdf -rw-rw-r-- root/root 3797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t1z_q97.sdf -rw-rw-r-- root/root 4259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t21_74e.sdf -rw-rw-r-- root/root 4270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t27_74f.sdf -rw-rw-r-- root/root 4359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t28_74q.sdf -rw-rw-r-- root/root 3915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t2b_74o.sdf -rw-rw-r-- root/root 4632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t2d_74l.sdf -rw-rw-r-- root/root 4264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t2g_74k.sdf -rw-rw-r-- root/root 4264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t2i_74j.sdf -rw-rw-r-- root/root 4265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t2l_74h.sdf -rw-rw-r-- root/root 4346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t2m_74n.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t2p_k89.sdf -rw-rw-r-- root/root 4102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t2t_0n8.sdf -rw-rw-r-- root/root 3406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t2y_753.sdf -rw-rw-r-- root/root 9071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t35_759.sdf -rw-rw-r-- root/root 3549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t36_755.sdf -rw-rw-r-- root/root 3406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t37_758.sdf -rw-rw-r-- root/root 5514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t3q_75h.sdf -rw-rw-r-- root/root 4963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t4b_75n.sdf -rw-rw-r-- root/root 5098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t4e_75l.sdf -rw-rw-r-- root/root 4620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t4f_75m.sdf -rw-rw-r-- root/root 4624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t4h_75j.sdf -rw-rw-r-- root/root 3534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t4k_76u.sdf -rw-rw-r-- root/root 2710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t4s_pg6.sdf -rw-rw-r-- root/root 3825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t4v_n48.sdf -rw-rw-r-- root/root 4421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t5g_75p.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t5t_75o.sdf -rw-rw-r-- root/root 3841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t5u_75t.sdf -rw-rw-r-- root/root 3575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t68_77v.sdf -rw-rw-r-- root/root 4094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t6c_75s.sdf -rw-rw-r-- root/root 4211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t6e_75r.sdf -rw-rw-r-- root/root 4213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t6h_75q.sdf -rw-rw-r-- root/root 4133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t6n_75u.sdf -rw-rw-r-- root/root 2023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t7e_ppq.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t7f_76c.sdf -rw-rw-r-- root/root 2766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t8e_77u.sdf -rw-rw-r-- root/root 4773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t8f_799.sdf -rw-rw-r-- root/root 2439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t8g_4z0.sdf -rw-rw-r-- root/root 4822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t8i_77c.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t8j_77t.sdf -rw-rw-r-- root/root 3425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t8o_76z.sdf -rw-rw-r-- root/root 2715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t8p_774.sdf -rw-rw-r-- root/root 2546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t8q_76y.sdf -rw-rw-r-- root/root 4272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t92_77w.sdf -rw-rw-r-- root/root 4497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t97_782.sdf -rw-rw-r-- root/root 1841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5t9c_g3p.sdf -rw-rw-r-- root/root 5527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ta4_838.sdf -rw-rw-r-- root/root 5566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ta6_79d.sdf -rw-rw-r-- root/root 5365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ta8_79c.sdf -rw-rw-r-- root/root 2956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tb6_77x.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tb8_1rz.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tb9_1ry.sdf -rw-rw-r-- root/root 1689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tbb_ppv.sdf -rw-rw-r-- root/root 5353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tbh_78k.sdf -rw-rw-r-- root/root 1692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tbh_m2m.sdf -rw-rw-r-- root/root 4574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tbi_78v.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tbj_lhd.sdf -rw-rw-r-- root/root 3801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tbm_79a.sdf -rw-rw-r-- root/root 3656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tbo_78z.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tbp_7a4.sdf -rw-rw-r-- root/root 4159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tc0_79y.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tc5_big.sdf -rw-rw-r-- root/root 3414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tc6_7a6.sdf -rw-rw-r-- root/root 4291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tca_j55.sdf -rw-rw-r-- root/root 3895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tcc_j56.sdf -rw-rw-r-- root/root 3244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tcj_79v.sdf -rw-rw-r-- root/root 4873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5td2_7ae.sdf -rw-rw-r-- root/root 8868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5td4_cey.sdf -rw-rw-r-- root/root 3625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5te2_7b9.sdf -rw-rw-r-- root/root 3413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5te8_08j.sdf -rw-rw-r-- root/root 3780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tei_m39.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tel_7aj.sdf -rw-rw-r-- root/root 1940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ten_7fn.sdf -rw-rw-r-- root/root 4204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tep_7ax.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ter_7ay.sdf -rw-rw-r-- root/root 4346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tex_7au.sdf -rw-rw-r-- root/root 3553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tf5_7ar.sdf -rw-rw-r-- root/root 4596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tf9_7av.sdf -rw-rw-r-- root/root 3718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tft_p6u.sdf -rw-rw-r-- root/root 3853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tfu_p6m.sdf -rw-rw-r-- root/root 4602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tgz_zdg.sdf -rw-rw-r-- root/root 3215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tht_b3n.sdf -rw-rw-r-- root/root 3524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ti3_7cg.sdf -rw-rw-r-- root/root 3650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ti7_7cq.sdf -rw-rw-r-- root/root 3406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tiu_7cu.sdf -rw-rw-r-- root/root 5717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tjk_bga.sdf -rw-rw-r-- root/root 5338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tjn_bgb.sdf -rw-rw-r-- root/root 5226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tjx_gbt.sdf -rw-rw-r-- root/root 2066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tjy_pdc.sdf -rw-rw-r-- root/root 4395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tkb_7dj.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tkd_7gl.sdf -rw-rw-r-- root/root 5938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tks_7dl.sdf -rw-rw-r-- root/root 5981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tkt_7ds.sdf -rw-rw-r-- root/root 5955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tku_7dk.sdf -rw-rw-r-- root/root 3920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tld_6wv.sdf -rw-rw-r-- root/root 3477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tle_rd1.sdf -rw-rw-r-- root/root 3730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tlf_7ef.sdf -rw-rw-r-- root/root 1706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tlh_mdn.sdf -rw-rw-r-- root/root 3024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tlh_rd2.sdf -rw-rw-r-- root/root 3659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tlm_7em.sdf -rw-rw-r-- root/root 3466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tln_ban.sdf -rw-rw-r-- root/root 3384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tlo_7ee.sdf -rw-rw-r-- root/root 2998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tlw_rd3.sdf -rw-rw-r-- root/root 2991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tlz_n26.sdf -rw-rw-r-- root/root 2815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tmd_7e0.sdf -rw-rw-r-- root/root 5179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tmg_7ek.sdf -rw-rw-r-- root/root 5163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tmk_7ej.sdf -rw-rw-r-- root/root 4116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tmo_7m1.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tmq_7m7.sdf -rw-rw-r-- root/root 3183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tmr_7fd.sdf -rw-rw-r-- root/root 3480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tms_7fg.sdf -rw-rw-r-- root/root 4847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tmw_7fp.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tmz_7fq.sdf -rw-rw-r-- root/root 3276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tn1_7fr.sdf -rw-rw-r-- root/root 3278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tn3_7fs.sdf -rw-rw-r-- root/root 5243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5to8_7fm.sdf -rw-rw-r-- root/root 4858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tob_yam.sdf -rw-rw-r-- root/root 3403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5toe_7gk.sdf -rw-rw-r-- root/root 5830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tpg_7h5.sdf -rw-rw-r-- root/root 3852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tq3_7gz.sdf -rw-rw-r-- root/root 3146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tq4_7gy.sdf -rw-rw-r-- root/root 3979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tq5_7gx.sdf -rw-rw-r-- root/root 3746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tq6_7gv.sdf -rw-rw-r-- root/root 4816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tq7_7gt.sdf -rw-rw-r-- root/root 5721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tq8_7gs.sdf -rw-rw-r-- root/root 5755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tqe_7kq.sdf -rw-rw-r-- root/root 5630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tqf_7kr.sdf -rw-rw-r-- root/root 6502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tqg_7ks.sdf -rw-rw-r-- root/root 4530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tqh_7j2.sdf -rw-rw-r-- root/root 3758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tr6_7kg.sdf -rw-rw-r-- root/root 5370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5trf_7hc.sdf -rw-rw-r-- root/root 3794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5trh_7hl.sdf -rw-rw-r-- root/root 3961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tri_7hm.sdf -rw-rw-r-- root/root 4408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5trj_7ho.sdf -rw-rw-r-- root/root 4282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5trk_7hh.sdf -rw-rw-r-- root/root 3853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tt7_7kf.sdf -rw-rw-r-- root/root 3599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ttg_7kz.sdf -rw-rw-r-- root/root 4447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tto_7kk.sdf -rw-rw-r-- root/root 3989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tuq_j63.sdf -rw-rw-r-- root/root 3512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tur_7lk.sdf -rw-rw-r-- root/root 3962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tuz_7l6.sdf -rw-rw-r-- root/root 5646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tv0_eq3.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tvj_7lf.sdf -rw-rw-r-- root/root 3580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tvn_7ld.sdf -rw-rw-r-- root/root 4871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tvt_7lv.sdf -rw-rw-r-- root/root 4162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tvy_xpe.sdf -rw-rw-r-- root/root 4468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tw3_7n1.sdf -rw-rw-r-- root/root 4752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5twl_h91.sdf -rw-rw-r-- root/root 4912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5twn_7ng.sdf -rw-rw-r-- root/root 3951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5two_7mv.sdf -rw-rw-r-- root/root 7973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5twx_7p7.sdf -rw-rw-r-- root/root 4557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5twy_7ly.sdf -rw-rw-r-- root/root 4931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tx3_7my.sdf -rw-rw-r-- root/root 4062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tx5_7mj.sdf -rw-rw-r-- root/root 2229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tyh_7o4.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tz3_7om.sdf -rw-rw-r-- root/root 4371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tz9_7sd.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tza_7og.sdf -rw-rw-r-- root/root 3940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tzh_7op.sdf -rw-rw-r-- root/root 3566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tzo_7v7.sdf -rw-rw-r-- root/root 4062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tzw_7p4.sdf -rw-rw-r-- root/root 4083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tzx_7oy.sdf -rw-rw-r-- root/root 5412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tzy_7os.sdf -rw-rw-r-- root/root 5182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tzy_mk6.sdf -rw-rw-r-- root/root 4081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5tzz_7oj.sdf -rw-rw-r-- root/root 4074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u00_7ov.sdf -rw-rw-r-- root/root 4951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u09_7dy.sdf -rw-rw-r-- root/root 1542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u0l_8yp.sdf -rw-rw-r-- root/root 2132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u0v_7vj.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u0w_9mg.sdf -rw-rw-r-- root/root 2607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u0y_7pj.sdf -rw-rw-r-- root/root 3333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u0z_7pm.sdf -rw-rw-r-- root/root 2738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u11_7ps.sdf -rw-rw-r-- root/root 3414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u13_yh5.sdf -rw-rw-r-- root/root 3559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u14_7pv.sdf -rw-rw-r-- root/root 3769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u28_82v.sdf -rw-rw-r-- root/root 3842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u2e_837.sdf -rw-rw-r-- root/root 3758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u2f_82y.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u2m_7t7.sdf -rw-rw-r-- root/root 4093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u2n_7ta.sdf -rw-rw-r-- root/root 4470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u39_c90.sdf -rw-rw-r-- root/root 3404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u3b_7td.sdf -rw-rw-r-- root/root 3339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u3f_7ts.sdf -rw-rw-r-- root/root 3636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u3i_7sj.sdf -rw-rw-r-- root/root 4597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u3q_7uj.sdf -rw-rw-r-- root/root 4496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u3r_7v1.sdf -rw-rw-r-- root/root 4498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u3s_7v4.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u3t_7uy.sdf -rw-rw-r-- root/root 4746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u3u_7tv.sdf -rw-rw-r-- root/root 4743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u3v_7ty.sdf -rw-rw-r-- root/root 4616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u3w_7u1.sdf -rw-rw-r-- root/root 4637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u3x_7u4.sdf -rw-rw-r-- root/root 4519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u3y_7u7.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u3z_7ua.sdf -rw-rw-r-- root/root 4949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u40_7ud.sdf -rw-rw-r-- root/root 4958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u41_7ug.sdf -rw-rw-r-- root/root 4852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u42_7sm.sdf -rw-rw-r-- root/root 4856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u43_7ss.sdf -rw-rw-r-- root/root 4759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u44_7sv.sdf -rw-rw-r-- root/root 4747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u45_7sy.sdf -rw-rw-r-- root/root 4205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u46_7t1.sdf -rw-rw-r-- root/root 2904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u48_s4b.sdf -rw-rw-r-- root/root 3043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u4a_7vg.sdf -rw-rw-r-- root/root 3005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u4c_xbs.sdf -rw-rw-r-- root/root 2909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u4d_xlo.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u4e_xlb.sdf -rw-rw-r-- root/root 4644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u4x_7vm.sdf -rw-rw-r-- root/root 3484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u5h_7vv.sdf -rw-rw-r-- root/root 2447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u5k_7vy.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u5l_7va.sdf -rw-rw-r-- root/root 2963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u5t_7w7.sdf -rw-rw-r-- root/root 1850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u5v_7wa.sdf -rw-rw-r-- root/root 2061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u5w_7w1.sdf -rw-rw-r-- root/root 1973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u5y_7w4.sdf -rw-rw-r-- root/root 2080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u5z_7vp.sdf -rw-rw-r-- root/root 2100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u60_7vs.sdf -rw-rw-r-- root/root 3133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u62_7wd.sdf -rw-rw-r-- root/root 3904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u69_lqd.sdf -rw-rw-r-- root/root 4441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u6b_7ys.sdf -rw-rw-r-- root/root 4513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u6d_7xg.sdf -rw-rw-r-- root/root 3613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u6i_81y.sdf -rw-rw-r-- root/root 5710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u6j_82j.sdf -rw-rw-r-- root/root 4161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u6v_7wy.sdf -rw-rw-r-- root/root 2791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u6x_p6a.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u72_7zv.sdf -rw-rw-r-- root/root 3873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u7i_7xs.sdf -rw-rw-r-- root/root 3490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u7j_7xv.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u7k_7y1.sdf -rw-rw-r-- root/root 4534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u7l_7y4.sdf -rw-rw-r-- root/root 4236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u7r_81g.sdf -rw-rw-r-- root/root 4882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u86_81v.sdf -rw-rw-r-- root/root 3933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u8a_82d.sdf -rw-rw-r-- root/root 4099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u8f_82g.sdf -rw-rw-r-- root/root 5104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5u9d_83p.sdf -rw-rw-r-- root/root 3714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uab_84m.sdf -rw-rw-r-- root/root 4411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uad_84p.sdf -rw-rw-r-- root/root 2054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uap_82s.sdf -rw-rw-r-- root/root 6140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ubg_prt.sdf -rw-rw-r-- root/root 4958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ubr_85s.sdf -rw-rw-r-- root/root 1834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uda_cae.sdf -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ue4_5xq.sdf -rw-rw-r-- root/root 2053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uec_85d.sdf -rw-rw-r-- root/root 4480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ueo_87g.sdf -rw-rw-r-- root/root 2587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uep_88p.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ueq_87m.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uer_87p.sdf -rw-rw-r-- root/root 3377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ues_87s.sdf -rw-rw-r-- root/root 2432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uet_87v.sdf -rw-rw-r-- root/root 3936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ueu_0s6.sdf -rw-rw-r-- root/root 2561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uev_88y.sdf -rw-rw-r-- root/root 3953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uew_87d.sdf -rw-rw-r-- root/root 4621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uex_89d.sdf -rw-rw-r-- root/root 4451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uey_88m.sdf -rw-rw-r-- root/root 3331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uez_89g.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uf0_89j.sdf -rw-rw-r-- root/root 3040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ufj_86m.sdf -rw-rw-r-- root/root 5537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ufo_87j.sdf -rw-rw-r-- root/root 4032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ufp_86d.sdf -rw-rw-r-- root/root 4692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ufr_88j.sdf -rw-rw-r-- root/root 4518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ufu_85v.sdf -rw-rw-r-- root/root 2110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ug2_86j.sdf -rw-rw-r-- root/root 4958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uga_8bm.sdf -rw-rw-r-- root/root 4083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ugp_8cp.sdf -rw-rw-r-- root/root 3519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ugs_xt5.sdf -rw-rw-r-- root/root 3532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ugt_xtw.sdf -rw-rw-r-- root/root 3658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ugu_xtv.sdf -rw-rw-r-- root/root 5423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uhi_8a4.sdf -rw-rw-r-- root/root 2752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uhl_8bj.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uig_8d1.sdf -rw-rw-r-- root/root 2410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uih_8cv.sdf -rw-rw-r-- root/root 2879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uio_8dm.sdf -rw-rw-r-- root/root 1593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uio_lg3.sdf -rw-rw-r-- root/root 2153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uiq_8bv.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uir_8by.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uis_8c1.sdf -rw-rw-r-- root/root 3658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uit_8cd.sdf -rw-rw-r-- root/root 3829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uiu_8cg.sdf -rw-rw-r-- root/root 4145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uj2_8b4.sdf -rw-rw-r-- root/root 4112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uj3_ce4.sdf -rw-rw-r-- root/root 6668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ujb_6ak.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uk8_8dv.sdf -rw-rw-r-- root/root 3695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ukf_8e1.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ukj_3k6.sdf -rw-rw-r-- root/root 4722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ukk_8dj.sdf -rw-rw-r-- root/root 4877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ukl_six.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ukm_t0e.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ul0_vt1.sdf -rw-rw-r-- root/root 4324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ul1_8dy.sdf -rw-rw-r-- root/root 2998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ul5_8d7.sdf -rw-rw-r-- root/root 3766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ula_5mj.sdf -rw-rw-r-- root/root 3028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ulg_8e4.sdf -rw-rw-r-- root/root 6580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uli_0wd.sdf -rw-rw-r-- root/root 3313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5um6_8ea.sdf -rw-rw-r-- root/root 6093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5unf_8es.sdf -rw-rw-r-- root/root 6195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5unh_8em.sdf -rw-rw-r-- root/root 3377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5unt_8j1.sdf -rw-rw-r-- root/root 3378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5unv_8j7.sdf -rw-rw-r-- root/root 3622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5unw_8f7.sdf -rw-rw-r-- root/root 3742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5unx_8f1.sdf -rw-rw-r-- root/root 3495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uo8_8ev.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uo9_8j4.sdf -rw-rw-r-- root/root 3625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uoa_8ey.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uob_m4r.sdf -rw-rw-r-- root/root 4571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uoo_8fv.sdf -rw-rw-r-- root/root 5637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uop_8g4.sdf -rw-rw-r-- root/root 5092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uoq_8g1.sdf -rw-rw-r-- root/root 4625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uor_8gv.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uox_8gy.sdf -rw-rw-r-- root/root 4677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uoy_8hm.sdf -rw-rw-r-- root/root 3736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5up0_8hp.sdf -rw-rw-r-- root/root 3521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5up3_8gs.sdf -rw-rw-r-- root/root 4155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5upe_8hy.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5upf_8hv.sdf -rw-rw-r-- root/root 4031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5upg_8gj.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5upj_uin.sdf -rw-rw-r-- root/root 3074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5upu_6q9.sdf -rw-rw-r-- root/root 3596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5upv_8kv.sdf -rw-rw-r-- root/root 2344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uq0_wp1.sdf -rw-rw-r-- root/root 3604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uqv_8jm.sdf -rw-rw-r-- root/root 3736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uqx_8jp.sdf -rw-rw-r-- root/root 5371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ur1_yy9.sdf -rw-rw-r-- root/root 4424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ur3_8oy.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ur5_8kp.sdf -rw-rw-r-- root/root 3396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ur6_8km.sdf -rw-rw-r-- root/root 4459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ura_8ks.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5urj_8ls.sdf -rw-rw-r-- root/root 4534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5urk_8lp.sdf -rw-rw-r-- root/root 3451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5urv_ner.sdf -rw-rw-r-- root/root 4383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5usq_8ly.sdf -rw-rw-r-- root/root 4162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ut2_3yt.sdf -rw-rw-r-- root/root 2788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ut3_ik1.sdf -rw-rw-r-- root/root 4899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ut4_dqx.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ut5_2hb.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ut6_8my.sdf -rw-rw-r-- root/root 4657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ute_8m4.sdf -rw-rw-r-- root/root 4551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5utn_8ma.sdf -rw-rw-r-- root/root 4013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uu1_7dz.sdf -rw-rw-r-- root/root 5014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uv3_8n4.sdf -rw-rw-r-- root/root 4077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uvc_8pv.sdf -rw-rw-r-- root/root 4706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uvp_8n7.sdf -rw-rw-r-- root/root 3915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uvs_8o1.sdf -rw-rw-r-- root/root 4071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uvt_8nv.sdf -rw-rw-r-- root/root 3963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uvu_8o4.sdf -rw-rw-r-- root/root 3942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uvv_8ns.sdf -rw-rw-r-- root/root 4478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uvw_8ng.sdf -rw-rw-r-- root/root 4108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uvx_8nm.sdf -rw-rw-r-- root/root 3487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uvy_8nj.sdf -rw-rw-r-- root/root 3101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uvz_8np.sdf -rw-rw-r-- root/root 4758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uwf_8q7.sdf -rw-rw-r-- root/root 4891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uwk_8om.sdf -rw-rw-r-- root/root 4831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uwl_8oj.sdf -rw-rw-r-- root/root 4831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uwm_8oa.sdf -rw-rw-r-- root/root 4519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uwn_8o7.sdf -rw-rw-r-- root/root 4060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uy6_8r4.sdf -rw-rw-r-- root/root 3680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5uyj_8r7.sdf -rw-rw-r-- root/root 1995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v0u_8qg.sdf -rw-rw-r-- root/root 3194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v0v_8qp.sdf -rw-rw-r-- root/root 3193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v0v_8qs.sdf -rw-rw-r-- root/root 2669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v18_8uy.sdf -rw-rw-r-- root/root 2439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v19_8v4.sdf -rw-rw-r-- root/root 3296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v24_8v7.sdf -rw-rw-r-- root/root 1821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v2j_7wv.sdf -rw-rw-r-- root/root 4592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v3o_8w7.sdf -rw-rw-r-- root/root 4505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v4w_8wm.sdf -rw-rw-r-- root/root 4371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v4x_8wj.sdf -rw-rw-r-- root/root 5481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v4y_8fm.sdf -rw-rw-r-- root/root 5272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v56_836.sdf -rw-rw-r-- root/root 3538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v5n_edh.sdf -rw-rw-r-- root/root 5099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v5y_8x7.sdf -rw-rw-r-- root/root 3421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v79_8y4.sdf -rw-rw-r-- root/root 2722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v7a_8y7.sdf -rw-rw-r-- root/root 4654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v7t_91v.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v7w_91j.sdf -rw-rw-r-- root/root 4269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v82_96y.sdf -rw-rw-r-- root/root 4643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v84_96v.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v8h_8zj.sdf -rw-rw-r-- root/root 3446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v8j_8zs.sdf -rw-rw-r-- root/root 4070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v8n_8zp.sdf -rw-rw-r-- root/root 2544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v8o_8zm.sdf -rw-rw-r-- root/root 2704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v8p_90g.sdf -rw-rw-r-- root/root 3221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v8q_97a.sdf -rw-rw-r-- root/root 2694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v8r_90j.sdf -rw-rw-r-- root/root 2826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v8u_90m.sdf -rw-rw-r-- root/root 5195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v8v_90d.sdf -rw-rw-r-- root/root 3242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v9p_90s.sdf -rw-rw-r-- root/root 3246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5v9t_90v.sdf -rw-rw-r-- root/root 4396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5val_92d.sdf -rw-rw-r-- root/root 5234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vam_92j.sdf -rw-rw-r-- root/root 5056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vb5_92a.sdf -rw-rw-r-- root/root 4995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vb6_927.sdf -rw-rw-r-- root/root 4755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vb7_921.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vbe_92v.sdf -rw-rw-r-- root/root 3596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vbu_3qz.sdf -rw-rw-r-- root/root 4811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vc5_96m.sdf -rw-rw-r-- root/root 6481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vce_rit.sdf -rw-rw-r-- root/root 4584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vcw_93j.sdf -rw-rw-r-- root/root 4924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vcy_db8.sdf -rw-rw-r-- root/root 4940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vcz_xzn.sdf -rw-rw-r-- root/root 4716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vd1_p48.sdf -rw-rw-r-- root/root 6411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vdq_9bg.sdf -rw-rw-r-- root/root 6233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vdr_9b7.sdf -rw-rw-r-- root/root 5773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vds_9bj.sdf -rw-rw-r-- root/root 6120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vdt_4bw.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vdu_9bs.sdf -rw-rw-r-- root/root 2311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vdv_9bv.sdf -rw-rw-r-- root/root 2799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vdw_9by.sdf -rw-rw-r-- root/root 4830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vee_981.sdf -rw-rw-r-- root/root 5107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vew_97y.sdf -rw-rw-r-- root/root 5502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vex_97v.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vez_xc5.sdf -rw-rw-r-- root/root 5625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vfc_9ba.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vgi_9dj.sdf -rw-rw-r-- root/root 5312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vgo_9b1.sdf -rw-rw-r-- root/root 2029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vjg_0bp.sdf -rw-rw-r-- root/root 7367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vkc_9ea.sdf -rw-rw-r-- root/root 3370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vkn_q6f.sdf -rw-rw-r-- root/root 2926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vkp_q5f.sdf -rw-rw-r-- root/root 3195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vkr_apr.sdf -rw-rw-r-- root/root 1817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vl0_bnf.sdf -rw-rw-r-- root/root 5962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vl0_nai.sdf -rw-rw-r-- root/root 5379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vlo_9ej.sdf -rw-rw-r-- root/root 5215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vlr_9em.sdf -rw-rw-r-- root/root 3444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vmp_9fj.sdf -rw-rw-r-- root/root 1852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vn1_nwh.sdf -rw-rw-r-- root/root 4239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vo1_9fs.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vo2_9fv.sdf -rw-rw-r-- root/root 4050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vo6_9j4.sdf -rw-rw-r-- root/root 4354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vom_9gy.sdf -rw-rw-r-- root/root 4512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vp0_9gj.sdf -rw-rw-r-- root/root 5439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vpm_9g7.sdf -rw-rw-r-- root/root 5040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vqq_9jp.sdf -rw-rw-r-- root/root 5024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vqr_9kg.sdf -rw-rw-r-- root/root 4900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vqs_9kd.sdf -rw-rw-r-- root/root 5045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vqt_9k7.sdf -rw-rw-r-- root/root 3890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vr7_a1f.sdf -rw-rw-r-- root/root 3891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vro_a7s.sdf -rw-rw-r-- root/root 5233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vrp_9jd.sdf -rw-rw-r-- root/root 4009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vs5_9j7.sdf -rw-rw-r-- root/root 3860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vsc_9hj.sdf -rw-rw-r-- root/root 4107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vsf_9hg.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vsj_9hv.sdf -rw-rw-r-- root/root 4007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vsq_a2v.sdf -rw-rw-r-- root/root 4230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vsr_af0.sdf -rw-rw-r-- root/root 3750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vt1_9js.sdf -rw-rw-r-- root/root 4047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vt4_9kj.sdf -rw-rw-r-- root/root 3887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vt7_a1c.sdf -rw-rw-r-- root/root 4198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vu8_9o7.sdf -rw-rw-r-- root/root 4167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vua_8gx.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vub_8gu.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vuc_8gr.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vuk_9p1.sdf -rw-rw-r-- root/root 3374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vun_9om.sdf -rw-rw-r-- root/root 3488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vuo_9os.sdf -rw-rw-r-- root/root 3383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vup_9p4.sdf -rw-rw-r-- root/root 3486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vv6_p64.sdf -rw-rw-r-- root/root 3244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vv7_xh8.sdf -rw-rw-r-- root/root 3494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vv8_9p7.sdf -rw-rw-r-- root/root 3496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vv9_9og.sdf -rw-rw-r-- root/root 3625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vva_9oj.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vvg_9pm.sdf -rw-rw-r-- root/root 3364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vvn_p94.sdf -rw-rw-r-- root/root 4888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5vyq_0fx.sdf -rw-rw-r-- root/root 3627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5w0c_9w6.sdf -rw-rw-r-- root/root 5954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5w2e_9vy.sdf -rw-rw-r-- root/root 4167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5w49_9w1.sdf -rw-rw-r-- root/root 4473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5w4b_9w4.sdf -rw-rw-r-- root/root 3553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5w4w_9wg.sdf -rw-rw-r-- root/root 2914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5w5j_9ws.sdf -rw-rw-r-- root/root 4699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5w5o_9xa.sdf -rw-rw-r-- root/root 3895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5w71_9ym.sdf -rw-rw-r-- root/root 4003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5w84_9yy.sdf -rw-rw-r-- root/root 4395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5w85_9ys.sdf -rw-rw-r-- root/root 4677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5w86_9yv.sdf -rw-rw-r-- root/root 4036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5w8v_9yp.sdf -rw-rw-r-- root/root 3943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5w9d_9xy.sdf -rw-rw-r-- root/root 4271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wa8_9za.sdf -rw-rw-r-- root/root 4270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wa9_9zd.sdf -rw-rw-r-- root/root 3462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wal_9zs.sdf -rw-rw-r-- root/root 6184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wb6_9zm.sdf -rw-rw-r-- root/root 3566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wbe_63x.sdf -rw-rw-r-- root/root 2868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wbm_a4g.sdf -rw-rw-r-- root/root 3843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wbn_9zv.sdf -rw-rw-r-- root/root 2543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wbo_a1y.sdf -rw-rw-r-- root/root 2417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wbp_a2j.sdf -rw-rw-r-- root/root 3590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wbq_a3j.sdf -rw-rw-r-- root/root 4139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wbr_a3y.sdf -rw-rw-r-- root/root 3850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wbv_9zy.sdf -rw-rw-r-- root/root 2367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wbx_ajy.sdf -rw-rw-r-- root/root 3866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wbz_a4j.sdf -rw-rw-r-- root/root 2209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wc5_ajv.sdf -rw-rw-r-- root/root 5071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wcg_a4m.sdf -rw-rw-r-- root/root 4556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wdy_a6s.sdf -rw-rw-r-- root/root 4829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5we8_a7y.sdf -rw-rw-r-- root/root 3440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wey_2m4.sdf -rw-rw-r-- root/root 2904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5whc_ajj.sdf -rw-rw-r-- root/root 3937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wiv_aqd.sdf -rw-rw-r-- root/root 2123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wk7_cah.sdf -rw-rw-r-- root/root 6474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wke_p50.sdf -rw-rw-r-- root/root 4502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wkg_cuy.sdf -rw-rw-r-- root/root 5803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wkg_d21.sdf -rw-rw-r-- root/root 6236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wki_d3d.sdf -rw-rw-r-- root/root 4649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wlw_8q1.sdf -rw-rw-r-- root/root 3700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wn8_bbj.sdf -rw-rw-r-- root/root 4479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wnx_sgt.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wny_b7p.sdf -rw-rw-r-- root/root 4282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wnz_b7j.sdf -rw-rw-r-- root/root 4277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wo0_b7a.sdf -rw-rw-r-- root/root 3787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wo4_b7v.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wpb_b8p.sdf -rw-rw-r-- root/root 5424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wqa_j20.sdf -rw-rw-r-- root/root 5157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wqg_7mi.sdf -rw-rw-r-- root/root 4960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wqh_7wu.sdf -rw-rw-r-- root/root 4929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wqh_7wx.sdf -rw-rw-r-- root/root 5097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wqi_7x0.sdf -rw-rw-r-- root/root 5538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wr7_rch.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wre_7tl.sdf -rw-rw-r-- root/root 4628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wrq_7tx.sdf -rw-rw-r-- root/root 4555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wry_4yr.sdf -rw-rw-r-- root/root 2977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wrz_7u3.sdf -rw-rw-r-- root/root 3052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ws0_7u6.sdf -rw-rw-r-- root/root 3105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5ws1_7u9.sdf -rw-rw-r-- root/root 4589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wtc_7ul.sdf -rw-rw-r-- root/root 3769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wuk_73k.sdf -rw-rw-r-- root/root 2595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wy9_1pg.sdf -rw-rw-r-- root/root 3554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wya_7vo.sdf -rw-rw-r-- root/root 3477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wyf_ilp.sdf -rw-rw-r-- root/root 2898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wyx_cu8.sdf -rw-rw-r-- root/root 2866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5wyz_7vf.sdf -rw-rw-r-- root/root 4175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x0r_4wh.sdf -rw-rw-r-- root/root 2921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x1v_7xx.sdf -rw-rw-r-- root/root 5433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x1w_7y0.sdf -rw-rw-r-- root/root 4849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x21_pum.sdf -rw-rw-r-- root/root 4238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x24_lsn.sdf -rw-rw-r-- root/root 3315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x2x_4lm.sdf -rw-rw-r-- root/root 3552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x2z_3lm.sdf -rw-rw-r-- root/root 3448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x30_7xf.sdf -rw-rw-r-- root/root 2298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x4m_7zf.sdf -rw-rw-r-- root/root 2429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x4n_7zl.sdf -rw-rw-r-- root/root 2827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x4p_7zo.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x4q_7z6.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x5q_d16.sdf -rw-rw-r-- root/root 3102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x67_7z9.sdf -rw-rw-r-- root/root 2451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x69_7zc.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x72_p59.sdf -rw-rw-r-- root/root 3500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x72_p69.sdf -rw-rw-r-- root/root 5942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x74_jay.sdf -rw-rw-r-- root/root 5796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x7d_8vs.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x7e_7zu.sdf -rw-rw-r-- root/root 1941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x7z_bha.sdf -rw-rw-r-- root/root 8034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x8g_s0n.sdf -rw-rw-r-- root/root 4429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x8i_sqz.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x8q_82r.sdf -rw-rw-r-- root/root 4769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x8s_6q5.sdf -rw-rw-r-- root/root 4923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x8x_82o.sdf -rw-rw-r-- root/root 6371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x93_k87.sdf -rw-rw-r-- root/root 3189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x9o_80r.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5x9p_80l.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xaf_84f.sdf -rw-rw-r-- root/root 3738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xdt_zi7.sdf -rw-rw-r-- root/root 4078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xdu_zi6.sdf -rw-rw-r-- root/root 2868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xe1_iuu.sdf -rw-rw-r-- root/root 4074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xgn_85x.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xhc_87u.sdf -rw-rw-r-- root/root 2401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xhk_ldr.sdf -rw-rw-r-- root/root 3956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xi7_po7.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xkm_87r.sdf -rw-rw-r-- root/root 4265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xlt_89o.sdf -rw-rw-r-- root/root 3581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xlz_89u.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xp7_8c6.sdf -rw-rw-r-- root/root 5226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xpr_k86.sdf -rw-rw-r-- root/root 2454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xqx_8cc.sdf -rw-rw-r-- root/root 4191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xr8_8d0.sdf -rw-rw-r-- root/root 4035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xra_8d3.sdf -rw-rw-r-- root/root 2461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xs2_8d6.sdf -rw-rw-r-- root/root 3199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xt6_pda.sdf -rw-rw-r-- root/root 4209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xy1_8h0.sdf -rw-rw-r-- root/root 3824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xzb_a9y.sdf -rw-rw-r-- root/root 3840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xze_ae7.sdf -rw-rw-r-- root/root 4113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xzg_aev.sdf -rw-rw-r-- root/root 3957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5xzr_8j6.sdf -rw-rw-r-- root/root 4725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5y2t_8lx.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5y3n_8mf.sdf -rw-rw-r-- root/root 3328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5y3o_8m9.sdf -rw-rw-r-- root/root 3544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5y5n_8no.sdf -rw-rw-r-- root/root 4882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5y9l_8r3.sdf -rw-rw-r-- root/root 1863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5yar_rib.sdf -rw-rw-r-- root/root 1944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5yas_fac.sdf -rw-rw-r-- root/root 5132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5yjk_8vx.sdf -rw-rw-r-- root/root 4635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/5yl4_8wr.sdf -rw-rw-r-- root/root 4074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6aol_vc1.sdf -rw-rw-r-- root/root 3167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6aom_p33.sdf -rw-rw-r-- root/root 3926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6aom_vc5.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6au3_bwm.sdf -rw-rw-r-- root/root 4747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6aud_bwy.sdf -rw-rw-r-- root/root 2281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6axn_btm.sdf -rw-rw-r-- root/root 3988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6ayw_c2v.sdf -rw-rw-r-- root/root 4908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6b0z_c81.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6b16_c7y.sdf -rw-rw-r-- root/root 3715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6b4l_cjy.sdf -rw-rw-r-- root/root 5462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6b4u_cn7.sdf -rw-rw-r-- root/root 5185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6b4w_cq7.sdf -rw-rw-r-- root/root 5833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6b8b_czj.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6b8j_65c.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6b8u_8en.sdf -rw-rw-r-- root/root 3565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6b96_czv.sdf -rw-rw-r-- root/root 3555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6b97_czy.sdf -rw-rw-r-- root/root 2237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6b98_d07.sdf -rw-rw-r-- root/root 5006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bab_d0s.sdf -rw-rw-r-- root/root 3910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bcz_d7y.sdf -rw-rw-r-- root/root 4159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bd5_d7m.sdf -rw-rw-r-- root/root 4241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bd6_80k.sdf -rw-rw-r-- root/root 4741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bd7_d7j.sdf -rw-rw-r-- root/root 4970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bd8_d81.sdf -rw-rw-r-- root/root 5072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bdh_dev.sdf -rw-rw-r-- root/root 5123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bdi_dej.sdf -rw-rw-r-- root/root 5375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bdk_dj1.sdf -rw-rw-r-- root/root 5453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bdm_y83.sdf -rw-rw-r-- root/root 3172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bk3_b2s.sdf -rw-rw-r-- root/root 4092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bku_dxv.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bn5_dzj.sdf -rw-rw-r-- root/root 4675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bnj_wpg.sdf -rw-rw-r-- root/root 5324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bns_xgh.sdf -rw-rw-r-- root/root 3541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bp0_e1d.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bql_bi9.sdf -rw-rw-r-- root/root 4937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6brc_e5j.sdf -rw-rw-r-- root/root 3540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bru_e5m.sdf -rw-rw-r-- root/root 3861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6btw_e8d.sdf -rw-rw-r-- root/root 3594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6bu6_e8v.sdf -rw-rw-r-- root/root 1915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6cha_pba.sdf -rw-rw-r-- root/root 4581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6cpa_zaf.sdf -rw-rw-r-- root/root 3112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6egu_43y.sdf -rw-rw-r-- root/root 5249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6eim_b6e.sdf -rw-rw-r-- root/root 3097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6eks_g39.sdf -rw-rw-r-- root/root 4440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6en5_bj2.sdf -rw-rw-r-- root/root 3737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6enc_bgw.sdf -rw-rw-r-- root/root 2780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6end_bgk.sdf -rw-rw-r-- root/root 10574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6enx_bjw.sdf -rw-rw-r-- root/root 10592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6eo0_bvt.sdf -rw-rw-r-- root/root 7625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6eo9_2oj.sdf -rw-rw-r-- root/root 3218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6eqp_buw.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6eqq_h19.sdf -rw-rw-r-- root/root 4848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6equ_bve.sdf -rw-rw-r-- root/root 3059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6esy_tfx.sdf -rw-rw-r-- root/root 4260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6euv_21g.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6eux_byb.sdf -rw-rw-r-- root/root 5946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6eva_4mj.sdf -rw-rw-r-- root/root 5102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6evd_byn.sdf -rw-rw-r-- root/root 4919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6evf_4lu.sdf -rw-rw-r-- root/root 3786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6ezq_c7k.sdf -rw-rw-r-- root/root 3268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6std_ms2.sdf -rw-rw-r-- root/root 3307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/6upj_niu.sdf -rw-rw-r-- root/root 5508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/7cpa_fvf.sdf -rw-rw-r-- root/root 1947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/7enl_2pg.sdf -rw-rw-r-- root/root 3777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/7gch_lpf.sdf -rw-rw-r-- root/root 3128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/7std_crp.sdf -rw-rw-r-- root/root 4728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/7upj_inu.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/830c_rs1.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/8a3h_idc.sdf -rw-rw-r-- root/root 2196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/8acn_nic.sdf -rw-rw-r-- root/root 3151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/8cho_p4c.sdf -rw-rw-r-- root/root 4458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/8cpa_agf.sdf -rw-rw-r-- root/root 1983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/8cpp_tcm.sdf -rw-rw-r-- root/root 4362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/8ico_azt.sdf -rw-rw-r-- root/root 1884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/8mht_du.sdf -rw-rw-r-- root/root 3801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/966c_rs2.sdf -rw-rw-r-- root/root 1435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/9rsa_adu.sdf -rw-rw-r-- root/root 1831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/9xim_xls.sdf -rw-rw-r-- root/root 504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/README -rwxrwxr-x root/root 367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/fetch.py -rwxrwxr-x root/root 451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/make_rdkit.py -rw-rw-r-- root/root 202145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/pdbs.txt -rwxrwxr-x root/root 323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/print_redundant.py drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/ -rw-rw-r-- root/root 5425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/10gs_vww.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/121p_gcp.sdf -rw-rw-r-- root/root 5680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/12gs_0hh.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/13gs_gsh.sdf -rw-rw-r-- root/root 3887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/13gs_sas.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/17gs_gtx.sdf -rw-rw-r-- root/root 4706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/18gs_gdn.sdf -rw-rw-r-- root/root 1571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/19gs_bsp.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/19gs_gsh.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a0g_pmp.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a0r_far.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a27_est.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a27_nap.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a28_str.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a2k_gdp.sdf -rw-rw-r-- root/root 7360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a2n_tet.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a35_bru.sdf -rw-rw-r-- root/root 3995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a42_bzu.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a4g_zmr.sdf -rw-rw-r-- root/root 7159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a4h_gdm.sdf -rw-rw-r-- root/root 3216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a4l_dcf.sdf -rw-rw-r-- root/root 3151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a4m_prh.sdf -rw-rw-r-- root/root 4957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a4q_dpc.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a4r_gdp.sdf -rw-rw-r-- root/root 4059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a4r_gnh.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a4z_nad.sdf -rw-rw-r-- root/root 3039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a53_igp.sdf -rw-rw-r-- root/root 3039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a5b_igp.sdf -rw-rw-r-- root/root 5057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a5h_bba.sdf -rw-rw-r-- root/root 3162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a5v_y3.sdf -rw-rw-r-- root/root 2884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a69_fmb.sdf -rw-rw-r-- root/root 3587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a6v_npc.sdf -rw-rw-r-- root/root 2610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a6w_nip.sdf -rw-rw-r-- root/root 879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a71_etf.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a71_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a72_pad.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a7a_adc.sdf -rw-rw-r-- root/root 12724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a7x_fka.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a82_atp.sdf -rw-rw-r-- root/root 2942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a82_dnn.sdf -rw-rw-r-- root/root 4942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a85_0dy.sdf -rw-rw-r-- root/root 4677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a86_0zb.sdf -rw-rw-r-- root/root 5317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a8t_061.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a95_gun.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a95_pcp.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a96_pcp.sdf -rw-rw-r-- root/root 1454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a96_xan.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a97_5gp.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a9p_9di.sdf -rw-rw-r-- root/root 2884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a9s_nos.sdf -rw-rw-r-- root/root 1361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a9t_hpa.sdf -rw-rw-r-- root/root 2313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1a9t_r1p.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aa1_3pg.sdf -rw-rw-r-- root/root 3420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aax_bpm.sdf -rw-rw-r-- root/root 5642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ab8_fok.sdf -rw-rw-r-- root/root 1678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ac4_tmt.sdf -rw-rw-r-- root/root 1678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ac8_tmz.sdf -rw-rw-r-- root/root 2675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1acj_tha.sdf -rw-rw-r-- root/root 2394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1acm_pal.sdf -rw-rw-r-- root/root 1481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aco_tra.sdf -rw-rw-r-- root/root 2900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ad4_hh2.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ad5_anp.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1adb_cnd.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1adc_pad.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1add_1da.sdf -rw-rw-r-- root/root 6418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1adf_tad.sdf -rw-rw-r-- root/root 6419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1adg_sad.sdf -rw-rw-r-- root/root 4786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1adl_acd.sdf -rw-rw-r-- root/root 4975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ady_ham.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aeb_3mt.sdf -rw-rw-r-- root/root 1423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aed_dti.sdf -rw-rw-r-- root/root 1317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aee_anl.sdf -rw-rw-r-- root/root 1336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aef_3ap.sdf -rw-rw-r-- root/root 1336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aeg_4ap.sdf -rw-rw-r-- root/root 1234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aeh_24t.sdf -rw-rw-r-- root/root 1336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aej_nvi.sdf -rw-rw-r-- root/root 1685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aek_idm.sdf -rw-rw-r-- root/root 1535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aem_mpi.sdf -rw-rw-r-- root/root 1335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aen_25t.sdf -rw-rw-r-- root/root 1335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aeo_2ap.sdf -rw-rw-r-- root/root 1401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aeq_2ez.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aer_amp.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aer_tia.sdf -rw-rw-r-- root/root 1244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aet_1mz.sdf -rw-rw-r-- root/root 1142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aeu_2mz.sdf -rw-rw-r-- root/root 975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aev_amt.sdf -rw-rw-r-- root/root 2455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1afa_mbg.sdf -rw-rw-r-- root/root 7079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1afc_scr.sdf -rw-rw-r-- root/root 4337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1afk_pap.sdf -rw-rw-r-- root/root 4342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1afl_atr.sdf -rw-rw-r-- root/root 5035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1afq_0fg.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1afs_tes.sdf -rw-rw-r-- root/root 7830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1agm_acr.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1agp_gnp.sdf -rw-rw-r-- root/root 4208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1agw_su2.sdf -rw-rw-r-- root/root 2442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ah0_sbi.sdf -rw-rw-r-- root/root 3500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ah3_tol.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ahb_fmp.sdf -rw-rw-r-- root/root 6914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ai3_ndo.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ai4_dhy.sdf -rw-rw-r-- root/root 1911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ai5_mnp.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ai6_4hp.sdf -rw-rw-r-- root/root 1234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ai7_iph.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aia_pmp.sdf -rw-rw-r-- root/root 2150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aj0_ph2.sdf -rw-rw-r-- root/root 1772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aj0_san.sdf -rw-rw-r-- root/root 3066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aj2_2ph.sdf -rw-rw-r-- root/root 7227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aj6_nov.sdf -rw-rw-r-- root/root 1911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ajn_aan.sdf -rw-rw-r-- root/root 1874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ajp_omd.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ajq_spa.sdf -rw-rw-r-- root/root 3996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ajs_pla.sdf -rw-rw-r-- root/root 6814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ajv_nmb.sdf -rw-rw-r-- root/root 6720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ajx_ah1.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aka_plp.sdf -rw-rw-r-- root/root 3735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1akb_ppd.sdf -rw-rw-r-- root/root 4102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1akc_ppe.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1akq_fmn.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1akr_fmn.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1akt_fmn.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1akw_fmn.sdf -rw-rw-r-- root/root 4025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1al7_hst.sdf -rw-rw-r-- root/root 3674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1al8_dhp.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aln_ctd.sdf -rw-rw-r-- root/root 2044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1alw_isa.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1am4_gnp.sdf -rw-rw-r-- root/root 3996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ama_pla.sdf -rw-rw-r-- root/root 2206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ami_mic.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1amq_pmp.sdf -rw-rw-r-- root/root 1149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1amr_mae.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1amr_pmp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1amw_adp.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1an5_cb3.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1an9_be2.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1an9_fad.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1anb_ben.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1anc_ben.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1and_ben.sdf -rw-rw-r-- root/root 2497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aob_ddu.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aod_ins.sdf -rw-rw-r-- root/root 3560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aoe_gw3.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aqi_sah.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aqj_sfg.sdf -rw-rw-r-- root/root 7139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aql_tch.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aqu_a3p.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aqv_0hg.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aqw_gsh.sdf -rw-rw-r-- root/root 5088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aqx_gtd.sdf -rw-rw-r-- root/root 3735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1arg_ppd.sdf -rw-rw-r-- root/root 3735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1arh_ppd.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1arz_pdc.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1as0_gsp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1as3_gdp.sdf -rw-rw-r-- root/root 3019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1asc_npl.sdf -rw-rw-r-- root/root 3996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1asl_pla.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1at1_mli.sdf -rw-rw-r-- root/root 1318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1at1_pct.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1atl_0qi.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1atr_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ats_adp.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1av5_ap2.sdf -rw-rw-r-- root/root 2513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1awb_ipd.sdf -rw-rw-r-- root/root 2549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ax9_edr.sdf -rw-rw-r-- root/root 879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1axe_etf.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1axe_nad.sdf -rw-rw-r-- root/root 879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1axg_etf.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1axg_nad.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1axw_mtx.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1axw_ump.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1axz_gla.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ay0_tpp.sdf -rw-rw-r-- root/root 1149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ay5_mae.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ay8_hci.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1aym_dao.sdf -rw-rw-r-- root/root 7830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ayp_inb.sdf -rw-rw-r-- root/root 2636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1az1_alr.sdf -rw-rw-r-- root/root 4518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1az8_in4.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1azl_fmn.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1azm_azm.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1azt_gsp.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b09_pc.sdf -rw-rw-r-- root/root 5920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b11_3tl.sdf -rw-rw-r-- root/root 4768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b3d_s27.sdf -rw-rw-r-- root/root 1805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b42_m1a.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b48_gsh.sdf -rw-rw-r-- root/root 5732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b48_hag.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b4s_adp.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b56_plm.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b57_pgh.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b5q_fad.sdf -rw-rw-r-- root/root 3040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b5q_md2.sdf -rw-rw-r-- root/root 2598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b66_bio.sdf -rw-rw-r-- root/root 7145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b6t_cod.sdf -rw-rw-r-- root/root 5283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b7y_fya.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b8n_img.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b8o_imh.sdf -rw-rw-r-- root/root 4365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b8y_in7.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b99_fup.sdf -rw-rw-r-- root/root 3845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b9i_pxg.sdf -rw-rw-r-- root/root 3714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b9s_fdi.sdf -rw-rw-r-- root/root 3749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b9t_rai.sdf -rw-rw-r-- root/root 4601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1b9v_ra2.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ba0_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ba1_adp.sdf -rw-rw-r-- root/root 9188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bb6_umg.sdf -rw-rw-r-- root/root 6781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bb7_gum.sdf -rw-rw-r-- root/root 3627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bd0_in5.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bd4_ura.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bdu_dur.sdf -rw-rw-r-- root/root 1600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ben_hbd.sdf -rw-rw-r-- root/root 2848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1beu_ipl.sdf -rw-rw-r-- root/root 4065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bg9_af1.sdf -rw-rw-r-- root/root 2280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bgg_gco.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bgq_rdc.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bh2_gsp.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bh5_gtx.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bid_ump.sdf -rw-rw-r-- root/root 8722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bil_0iu.sdf -rw-rw-r-- root/root 9100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bim_0qb.sdf -rw-rw-r-- root/root 5865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1biw_s80.sdf -rw-rw-r-- root/root 4957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bji_dpc.sdf -rw-rw-r-- root/root 3043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bju_gp6.sdf -rw-rw-r-- root/root 4035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bjv_gp8.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bk0_acv.sdf -rw-rw-r-- root/root 5842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bkc_inn.sdf -rw-rw-r-- root/root 1451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bke_b3i.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bke_myr.sdf -rw-rw-r-- root/root 11192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bkf_fk5.sdf -rw-rw-r-- root/root 7169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bkm_1c5.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bkw_phb.sdf -rw-rw-r-- root/root 1505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bky_1mc.sdf -rw-rw-r-- root/root 8717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bl4_ap1.sdf -rw-rw-r-- root/root 6561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bma_0qh.sdf -rw-rw-r-- root/root 3260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bn3_al6.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bnm_al8.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bnn_al1.sdf -rw-rw-r-- root/root 3519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bnt_al2.sdf -rw-rw-r-- root/root 4122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1boz_prd.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bp6_ump.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bpe_dtp.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bpj_ump.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bpy_dct.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bq3_ihp.sdf -rw-rw-r-- root/root 2834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bq4_bhc.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bq6_coa.sdf -rw-rw-r-- root/root 5791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bqi_sba.sdf -rw-rw-r-- root/root 3811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bqm_hby.sdf -rw-rw-r-- root/root 5540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bqo_n25.sdf -rw-rw-r-- root/root 2695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1br5_neo.sdf -rw-rw-r-- root/root 3261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1br6_pt1.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bra_ben.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bs1_adp.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bs1_daa.sdf -rw-rw-r-- root/root 5850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bs4_2pe.sdf -rw-rw-r-- root/root 5153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bsj_mln.sdf -rw-rw-r-- root/root 3383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bso_brc.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bu5_rbf.sdf -rw-rw-r-- root/root 1681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bug_urs.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bup_adp.sdf -rw-rw-r-- root/root 4258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bux_pps.sdf -rw-rw-r-- root/root 8382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bv7_xv6.sdf -rw-rw-r-- root/root 8382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bv9_xv6.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bvc_bla.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bvr_nad.sdf -rw-rw-r-- root/root 5556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bvr_tht.sdf -rw-rw-r-- root/root 1872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bw9_ppy.sdf -rw-rw-r-- root/root 8382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bwa_xv6.sdf -rw-rw-r-- root/root 9654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bwb_146.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bwf_atf.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bwk_fmn.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bwl_fmn.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bwn_4ip.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bwv_cap.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bx4_adn.sdf -rw-rw-r-- root/root 6036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bx6_ba1.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bxg_hci.sdf -rw-rw-r-- root/root 6492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bxm_erg.sdf -rw-rw-r-- root/root 8114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bxo_pp7.sdf -rw-rw-r-- root/root 8008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bxq_pp8.sdf -rw-rw-r-- root/root 3110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1by3_oes.sdf -rw-rw-r-- root/root 5655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bye_ata.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1byu_gdp.sdf -rw-rw-r-- root/root 4214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bzc_tpi.sdf -rw-rw-r-- root/root 2711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bzj_pic.sdf -rw-rw-r-- root/root 8636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bzl_gcg.sdf -rw-rw-r-- root/root 2052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bzm_mzm.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bzs_bsi.sdf -rw-rw-r-- root/root 3683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1bzy_imu.sdf -rw-rw-r-- root/root 3239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c0t_bm1.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c0u_bm5.sdf -rw-rw-r-- root/root 4493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c1b_gca.sdf -rw-rw-r-- root/root 4306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c1c_612.sdf -rw-rw-r-- root/root 7495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c1h_mmp.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c1x_hfa.sdf -rw-rw-r-- root/root 1854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c22_mf3.sdf -rw-rw-r-- root/root 1997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c23_mph.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c24_mpj.sdf -rw-rw-r-- root/root 2654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c29_he1.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c2t_gar.sdf -rw-rw-r-- root/root 5205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c2t_nhs.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c3e_gar.sdf -rw-rw-r-- root/root 5207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c3e_nhr.sdf -rw-rw-r-- root/root 5662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c3i_tr1.sdf -rw-rw-r-- root/root 1673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c3q_tze.sdf -rw-rw-r-- root/root 4932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c50_chi.sdf -rw-rw-r-- root/root 1990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c5w_esi.sdf -rw-rw-r-- root/root 1897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c5y_esp.sdf -rw-rw-r-- root/root 1687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c5z_bam.sdf -rw-rw-r-- root/root 5464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c72_epy.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c7f_fmn.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c7z_g3h.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c80_gtp.sdf -rw-rw-r-- root/root 2929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c81_fdq.sdf -rw-rw-r-- root/root 2448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c83_oai.sdf -rw-rw-r-- root/root 2626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c84_761.sdf -rw-rw-r-- root/root 2071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c85_oba.sdf -rw-rw-r-- root/root 2532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c86_opa.sdf -rw-rw-r-- root/root 2615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c88_ota.sdf -rw-rw-r-- root/root 4482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c8l_bin.sdf -rw-rw-r-- root/root 5662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c8t_tr1.sdf -rw-rw-r-- root/root 1946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c97_ict.sdf -rw-rw-r-- root/root 3454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c9c_pp3.sdf -rw-rw-r-- root/root 2663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c9d_hf1.sdf -rw-rw-r-- root/root 1148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c9y_cp.sdf -rw-rw-r-- root/root 1728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1c9y_nva.sdf -rw-rw-r-- root/root 1959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ca7_eno.sdf -rw-rw-r-- root/root 5910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1caq_dps.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cb0_ade.sdf -rw-rw-r-- root/root 4480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cbq_re9.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cbr_rea.sdf -rw-rw-r-- root/root 2480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cbx_bzs.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cci_dmi.sdf -rw-rw-r-- root/root 4757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cde_dzf.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cde_gar.sdf -rw-rw-r-- root/root 1988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cea_aca.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ceb_amh.sdf -rw-rw-r-- root/root 1501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cel_ibz.sdf -rw-rw-r-- root/root 4313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cet_clq.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cg1_gdp.sdf -rw-rw-r-- root/root 1232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cg1_hda.sdf -rw-rw-r-- root/root 3796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cg1_imo.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cg3_gdp.sdf -rw-rw-r-- root/root 1232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cg3_hda.sdf -rw-rw-r-- root/root 3796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cg3_imo.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cg4_gdp.sdf -rw-rw-r-- root/root 3796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cg4_imo.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cg6_mta.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cgk_nar.sdf -rw-rw-r-- root/root 8217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cgl_0ed.sdf -rw-rw-r-- root/root 2681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cgz_stl.sdf -rw-rw-r-- root/root 4187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ch8_gpx.sdf -rw-rw-r-- root/root 9083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1chw_hxc.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ci7_cb3.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cip_gnp.sdf -rw-rw-r-- root/root 7926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cj1_c78.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cjb_irp.sdf -rw-rw-r-- root/root 2595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cjf_hom.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cjk_tat.sdf -rw-rw-r-- root/root 3853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cjp_mug.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cjt_dad.sdf -rw-rw-r-- root/root 1690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ck6_sha.sdf -rw-rw-r-- root/root 4181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cl2_ppg.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cla_clm.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cm8_anp.sdf -rw-rw-r-- root/root 8325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cml_mlc.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cmp_dmi.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cnq_f6p.sdf -rw-rw-r-- root/root 4501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cnw_eg1.sdf -rw-rw-r-- root/root 5670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cny_eg3.sdf -rw-rw-r-- root/root 2411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1com_pre.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1coy_and.sdf -rw-rw-r-- root/root 1142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cp4_bnz.sdf -rw-rw-r-- root/root 1381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cp6_bub.sdf -rw-rw-r-- root/root 2905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cps_cpm.sdf -rw-rw-r-- root/root 2856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cq1_pqq.sdf -rw-rw-r-- root/root 3713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cq6_py4.sdf -rw-rw-r-- root/root 3972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cq7_py5.sdf -rw-rw-r-- root/root 4231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cq8_py6.sdf -rw-rw-r-- root/root 5812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cqp_803.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cqs_equ.sdf -rw-rw-r-- root/root 10031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cqx_dgg.sdf -rw-rw-r-- root/root 3866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cr6_cpu.sdf -rw-rw-r-- root/root 3331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cs4_101.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1csn_atp.sdf -rw-rw-r-- root/root 2758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ctt_dhz.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ctu_zeb.sdf -rw-rw-r-- root/root 3237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cul_103.sdf -rw-rw-r-- root/root 1708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cul_3po.sdf -rw-rw-r-- root/root 2913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cw2_hsp.sdf -rw-rw-r-- root/root 184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cw3_mn.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cw3_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cwu_nad.sdf -rw-rw-r-- root/root 2768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cwu_tdb.sdf -rw-rw-r-- root/root 3451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cx2_s58.sdf -rw-rw-r-- root/root 2903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cx9_nhp.sdf -rw-rw-r-- root/root 11348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cxf_acx.sdf -rw-rw-r-- root/root 4395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cxv_cbp.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1cxz_gsp.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1czm_aas.sdf -rw-rw-r-- root/root 5870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d0m_blg.sdf -rw-rw-r-- root/root 1954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d0s_dmd.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d0v_nio.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d0v_rbz.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d1g_mtx.sdf -rw-rw-r-- root/root 1910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d1q_4np.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d1v_h4b.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d1v_ptu.sdf -rw-rw-r-- root/root 1142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d1w_atq.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d1w_h4b.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d1x_4bt.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d1x_h4b.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d1y_3bt.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d2a_ade.sdf -rw-rw-r-- root/root 3978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d3g_bre.sdf -rw-rw-r-- root/root 3645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d3g_ddq.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d3h_a26.sdf -rw-rw-r-- root/root 2541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d3v_abh.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d4f_adn.sdf -rw-rw-r-- root/root 7522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d4h_beh.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d4x_atp.sdf -rw-rw-r-- root/root 4167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d5j_mm3.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d6a_gun.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d6f_b3p.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d6h_coa.sdf -rw-rw-r-- root/root 1361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d6n_ppo.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d6n_prp.sdf -rw-rw-r-- root/root 6023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d6w_00r.sdf -rw-rw-r-- root/root 1293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d7i_dss.sdf -rw-rw-r-- root/root 1295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d7j_buq.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d7o_nad.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d7o_tcl.sdf -rw-rw-r-- root/root 3562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d7r_5pa.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d7s_dcs.sdf -rw-rw-r-- root/root 3310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d7u_lcs.sdf -rw-rw-r-- root/root 3715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d7v_nma.sdf -rw-rw-r-- root/root 3831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d7x_spc.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d8a_nad.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d8a_tcl.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d8c_sor.sdf -rw-rw-r-- root/root 4817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d8d_fii.sdf -rw-rw-r-- root/root 4817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d8e_fii.sdf -rw-rw-r-- root/root 4915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d8f_spi.sdf -rw-rw-r-- root/root 4565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d8m_bbh.sdf -rw-rw-r-- root/root 5625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1d9i_00p.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dad_adp.sdf -rw-rw-r-- root/root 3307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dae_ikt.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1daf_adp.sdf -rw-rw-r-- root/root 3220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1daf_dsd.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dag_acp.sdf -rw-rw-r-- root/root 3220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dag_dsd.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dah_acp.sdf -rw-rw-r-- root/root 2942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dah_dnn.sdf -rw-rw-r-- root/root 3220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dai_dsd.sdf -rw-rw-r-- root/root 4924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1daj_mot.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dak_adp.sdf -rw-rw-r-- root/root 3683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dak_dpu.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dam_adp.sdf -rw-rw-r-- root/root 2975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dam_dtb.sdf -rw-rw-r-- root/root 8852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dao_fab.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1daw_anp.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1day_gnp.sdf -rw-rw-r-- root/root 4904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1db4_8in.sdf -rw-rw-r-- root/root 4729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1db5_6in.sdf -rw-rw-r-- root/root 3430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dcn_as1.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dcp_hbi.sdf -rw-rw-r-- root/root 3843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dcy_i3n.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dd6_mci.sdf -rw-rw-r-- root/root 5499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dd7_1pm.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ddo_fad.sdf -rw-rw-r-- root/root 2330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ddo_itr.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ddu_cb3.sdf -rw-rw-r-- root/root 2497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ddu_ddu.sdf -rw-rw-r-- root/root 5091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ddx_pgx.sdf -rw-rw-r-- root/root 2259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1de5_rnt.sdf -rw-rw-r-- root/root 2093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1de6_rns.sdf -rw-rw-r-- root/root 7831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ded_qps.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1df1_h4b.sdf -rw-rw-r-- root/root 1294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1df1_itu.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1df7_mtx.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dfi_nad.sdf -rw-rw-r-- root/root 5195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dfo_ffo.sdf -rw-rw-r-- root/root 3817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dg7_wrb.sdf -rw-rw-r-- root/root 3725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dgp_foh.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dhj_mtx.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dht_dht.sdf -rw-rw-r-- root/root 5177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dia_l24.sdf -rw-rw-r-- root/root 5044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dib_l34.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1did_dig.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1die_noj.sdf -rw-rw-r-- root/root 4572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dig_l37.sdf -rw-rw-r-- root/root 3705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dil_axp.sdf -rw-rw-r-- root/root 3705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dil_eqp.sdf -rw-rw-r-- root/root 3705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dim_eqp.sdf -rw-rw-r-- root/root 4786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1diy_acd.sdf -rw-rw-r-- root/root 4950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dj9_kam.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1djr_gla.sdf -rw-rw-r-- root/root 2572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1djw_cip.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1djx_i3p.sdf -rw-rw-r-- root/root 3570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1djy_i2p.sdf -rw-rw-r-- root/root 3112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1djz_ip2.sdf -rw-rw-r-- root/root 5478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dkf_bms.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dkf_ola.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dkq_ihp.sdf -rw-rw-r-- root/root 3483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dl7_nch.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dlr_mxa.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dls_mtx.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dlv_coa.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dm3_aco.sdf -rw-rw-r-- root/root 1869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dm6_ph3.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dma_amp.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dma_nca.sdf -rw-rw-r-- root/root 13225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dmb_bcd.sdf -rw-rw-r-- root/root 2353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dmj_ap4.sdf -rw-rw-r-- root/root 1294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dmj_itu.sdf -rw-rw-r-- root/root 2956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dmk_ap6.sdf -rw-rw-r-- root/root 1294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dmk_itu.sdf -rw-rw-r-- root/root 6874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dmp_dmq.sdf -rw-rw-r-- root/root 6389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dmt_rdf.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dmw_hbi.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dmy_azm.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dob_phb.sdf -rw-rw-r-- root/root 1610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dod_dob.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dog_noj.sdf -rw-rw-r-- root/root 1750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1doh_nid.sdf -rw-rw-r-- root/root 2364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dp2_lpb.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dpf_gdp.sdf -rw-rw-r-- root/root 3153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dpm_ebp.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dpo_ben.sdf -rw-rw-r-- root/root 8841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dq9_hmg.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dqa_coa.sdf -rw-rw-r-- root/root 1926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dqa_mah.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dqe_bom.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dqo_asg.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dqr_6pg.sdf -rw-rw-r-- root/root 2917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dqs_crb.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dqx_bmp.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dr6_hbi.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dra_mtx.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1drb_mtx.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1drf_fol.sdf -rw-rw-r-- root/root 2550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1drt_pcv.sdf -rw-rw-r-- root/root 2796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dry_aag.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ds5_amp.sdf -rw-rw-r-- root/root 4396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dsy_psf.sdf -rw-rw-r-- root/root 5662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dth_bat.sdf -rw-rw-r-- root/root 5460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dtl_bep.sdf -rw-rw-r-- root/root 2038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dtn_apg.sdf -rw-rw-r-- root/root 3670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dtq_fpt.sdf -rw-rw-r-- root/root 3578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dtt_ftc.sdf -rw-rw-r-- root/root 2894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1duv_psq.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dvj_up6.sdf -rw-rw-r-- root/root 2547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dvu_dbf.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dvy_bpd.sdf -rw-rw-r-- root/root 2795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dvz_ofl.sdf -rw-rw-r-- root/root 3014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dwv_4ab.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dwv_har.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dww_h2b.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dww_har.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dwx_h4b.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dwx_har.sdf -rw-rw-r-- root/root 3844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dx4_760.sdf -rw-rw-r-- root/root 3833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dx6_gnt.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dx6_pg4.sdf -rw-rw-r-- root/root 2202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dxo_dqn.sdf -rw-rw-r-- root/root 3842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dy3_87y.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dy3_atp.sdf -rw-rw-r-- root/root 3616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dy4_snp.sdf -rw-rw-r-- root/root 4757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dyh_dzf.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dyr_top.sdf -rw-rw-r-- root/root 2450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dz8_cam.sdf -rw-rw-r-- root/root 2798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dzj_ses.sdf -rw-rw-r-- root/root 2370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dzk_prz.sdf -rw-rw-r-- root/root 2588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dzm_bzm.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1dzp_bzq.sdf -rw-rw-r-- root/root 2757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e00_dhm.sdf -rw-rw-r-- root/root 3017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e02_una.sdf -rw-rw-r-- root/root 2271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e06_ipb.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e0s_gdp.sdf -rw-rw-r-- root/root 3328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e1f_psg.sdf -rw-rw-r-- root/root 4913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e26_gpb.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2d_adp.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2d_tmp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2e_adp.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2e_tmp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2f_anp.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2f_tmp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2g_adp.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2g_tyd.sdf -rw-rw-r-- root/root 2314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2i_aps.sdf -rw-rw-r-- root/root 2314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2i_arp.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2j_thm.sdf -rw-rw-r-- root/root 3123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2k_tmc.sdf -rw-rw-r-- root/root 3123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2l_tmc.sdf -rw-rw-r-- root/root 2294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2m_hpt.sdf -rw-rw-r-- root/root 3383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2n_rca.sdf -rw-rw-r-- root/root 2647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2p_ccv.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2q_atp.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2q_tmp.sdf -rw-rw-r-- root/root 1922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e2s_csn.sdf -rw-rw-r-- root/root 4083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e3k_r18.sdf -rw-rw-r-- root/root 6089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e3q_ebw.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e3r_and.sdf -rw-rw-r-- root/root 538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e3u_auc.sdf -rw-rw-r-- root/root 6064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e3v_dxc.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e48_13p.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e4n_hbo.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e56_hbo.sdf -rw-rw-r-- root/root 3665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e66_hux.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e6q_ntz.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e6s_gox.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e6w_est.sdf -rw-rw-r-- root/root 2032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e6x_lgc.sdf -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e6z_ngo.sdf -rw-rw-r-- root/root 2023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e70_g2f.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e71_asc.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e72_asc.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e72_gox.sdf -rw-rw-r-- root/root 2793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e7a_pfl.sdf -rw-rw-r-- root/root 808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e7b_hlt.sdf -rw-rw-r-- root/root 808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e7c_hlt.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e7e_dka.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e7f_dao.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e7h_plm.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e7i_ste.sdf -rw-rw-r-- root/root 3692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e7v_ly2.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e7w_mtx.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e8g_fad.sdf -rw-rw-r-- root/root 1524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e8g_fcr.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e8h_adp.sdf -rw-rw-r-- root/root 3638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e8m_p0h.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e8v_dan.sdf -rw-rw-r-- root/root 3098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e90_myc.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e92_hbi.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e96_gtp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e98_adp.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e98_atm.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e99_adp.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e99_atm.sdf -rw-rw-r-- root/root 7413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e9a_z5a.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e9b_adp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e9b_anp.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e9b_atm.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e9c_adp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e9c_anp.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e9c_tmp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e9d_adp.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e9d_atm.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e9e_adp.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e9e_tmp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e9f_adp.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e9f_tmp.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1e9x_pim.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ea1_tpf.sdf -rw-rw-r-- root/root 5720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eb2_bpo.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ebf_nad.sdf -rw-rw-r-- root/root 1410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ebg_pah.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ebl_coa.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ebm_8og.sdf -rw-rw-r-- root/root 1565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ebu_hse.sdf -rw-rw-r-- root/root 6611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ebu_nda.sdf -rw-rw-r-- root/root 2135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ebv_scl.sdf -rw-rw-r-- root/root 1810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ec8_glr.sdf -rw-rw-r-- root/root 1971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ec9_xyh.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ecb_5gp.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ecc_pcp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ecj_amp.sdf -rw-rw-r-- root/root 2585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ecm_tsa.sdf -rw-rw-r-- root/root 1976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ecq_dxg.sdf -rw-rw-r-- root/root 2082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ecv_878.sdf -rw-rw-r-- root/root 2437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ed6_ilo.sdf -rw-rw-r-- root/root 3326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eei_gaa.sdf -rw-rw-r-- root/root 3957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eet_bfu.sdf -rw-rw-r-- root/root 2819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ef3_fid.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1efh_a3p.sdf -rw-rw-r-- root/root 3280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1efi_gat.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1efy_bzc.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1efz_prf.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eg9_ind.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1egh_pga.sdf -rw-rw-r-- root/root 2425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1egy_9ap.sdf -rw-rw-r-- root/root 3675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eh4_ic1.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ei1_anp.sdf -rw-rw-r-- root/root 1950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eir_bpy.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ej2_nad.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ej3_czh.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ejj_3pg.sdf -rw-rw-r-- root/root 4701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ejn_agb.sdf -rw-rw-r-- root/root 3096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ek1_ciu.sdf -rw-rw-r-- root/root 4778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ek2_cdu.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ek8_dem.sdf -rw-rw-r-- root/root 1673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ekk_tze.sdf -rw-rw-r-- root/root 4457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eko_i84.sdf -rw-rw-r-- root/root 2394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ekx_pal.sdf -rw-rw-r-- root/root 4457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1el3_i84.sdf -rw-rw-r-- root/root 4974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1el4_ctz.sdf -rw-rw-r-- root/root 5757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ela_0z1.sdf -rw-rw-r-- root/root 6170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1elb_0z4.sdf -rw-rw-r-- root/root 6298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1elc_0z3.sdf -rw-rw-r-- root/root 4754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eld_0z0.sdf -rw-rw-r-- root/root 4367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ele_0qn.sdf -rw-rw-r-- root/root 1410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1els_pah.sdf -rw-rw-r-- root/root 2623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1elv_nes.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1emj_ura.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eno_nad.sdf -rw-rw-r-- root/root 1893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1enu_apz.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1enz_nad.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eob_dhb.sdf -rw-rw-r-- root/root 1552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eoc_4nc.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eos_u2g.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ep3_fmn.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ep4_s11.sdf -rw-rw-r-- root/root 1148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ep9_cp.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1epv_dcs.sdf -rw-rw-r-- root/root 3421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eqa_mg7.sdf -rw-rw-r-- root/root 5195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eqb_ffo.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eqc_cts.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eqg_ibp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eqm_adp.sdf -rw-rw-r-- root/root 3658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1equ_eqi.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1equ_nap.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1erb_etr.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1esm_coa.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1esn_anp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1esq_atp.sdf -rw-rw-r-- root/root 2126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1esq_tzp.sdf -rw-rw-r-- root/root 1772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1est_tsu.sdf -rw-rw-r-- root/root 6462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1etr_mit.sdf -rw-rw-r-- root/root 6150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ets_mid.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eup_asd.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eus_dan.sdf -rw-rw-r-- root/root 3639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ev4_gts.sdf -rw-rw-r-- root/root 1493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ev6_crs.sdf -rw-rw-r-- root/root 3639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ev9_gts.sdf -rw-rw-r-- root/root 5156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eve_e20.sdf -rw-rw-r-- root/root 1437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1evi_2pc.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1evi_fad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1evz_nad.sdf -rw-rw-r-- root/root 1235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ew8_pae.sdf -rw-rw-r-- root/root 909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ew9_mmq.sdf -rw-rw-r-- root/root 6627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ex8_a4p.sdf -rw-rw-r-- root/root 4985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1exa_394.sdf -rw-rw-r-- root/root 4152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1exi_118.sdf -rw-rw-r-- root/root 4985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1exx_961.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eyn_2an.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eyq_nar.sdf -rw-rw-r-- root/root 2341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1eyw_ten.sdf -rw-rw-r-- root/root 2508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ez2_dii.sdf -rw-rw-r-- root/root 6450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ezf_in0.sdf -rw-rw-r-- root/root 5789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ezq_rpr.sdf -rw-rw-r-- root/root 2365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f06_2np.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f0r_815.sdf -rw-rw-r-- root/root 4268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f0s_pr2.sdf -rw-rw-r-- root/root 4516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f0t_pr1.sdf -rw-rw-r-- root/root 5789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f0u_rpr.sdf -rw-rw-r-- root/root 2394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f1b_pal.sdf -rw-rw-r-- root/root 5586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f28_f89.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f3a_gsh.sdf -rw-rw-r-- root/root 6408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f3b_gbx.sdf -rw-rw-r-- root/root 2070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f3e_dpz.sdf -rw-rw-r-- root/root 3965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f3f_d4t.sdf -rw-rw-r-- root/root 3017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f4e_tpr.sdf -rw-rw-r-- root/root 4476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f4f_tp3.sdf -rw-rw-r-- root/root 5361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f4g_tp4.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f4p_fmn.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f4t_pim.sdf -rw-rw-r-- root/root 1303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f57_dcy.sdf -rw-rw-r-- root/root 1687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f5k_bam.sdf -rw-rw-r-- root/root 2146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f5l_amr.sdf -rw-rw-r-- root/root 5617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f6a_cps.sdf -rw-rw-r-- root/root 4042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f6t_tbd.sdf -rw-rw-r-- root/root 3774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f73_hmn.sdf -rw-rw-r-- root/root 3514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f74_nay.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f8b_dan.sdf -rw-rw-r-- root/root 3443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f8c_4am.sdf -rw-rw-r-- root/root 3443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f8d_9am.sdf -rw-rw-r-- root/root 3526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f8e_49a.sdf -rw-rw-r-- root/root 8115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f92_ukp.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f9g_asc.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f9h_apc.sdf -rw-rw-r-- root/root 2150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f9h_ph2.sdf -rw-rw-r-- root/root 1153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f9o_pih.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1f9u_adp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fa9_amp.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fag_pam.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fao_4ip.sdf -rw-rw-r-- root/root 12774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fap_rap.sdf -rw-rw-r-- root/root 5542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fax_dx9.sdf -rw-rw-r-- root/root 8866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fb7_roc.sdf -rw-rw-r-- root/root 3021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fbg_ahm.sdf -rw-rw-r-- root/root 3114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fbh_afp.sdf -rw-rw-r-- root/root 3115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fbh_fbp.sdf -rw-rw-r-- root/root 7740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fbz_cc1.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fcb_fmn.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fcb_pyr.sdf -rw-rw-r-- root/root 5163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fcx_184.sdf -rw-rw-r-- root/root 4997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fcy_564.sdf -rw-rw-r-- root/root 4796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fcz_156.sdf -rw-rw-r-- root/root 5173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fd0_254.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fd7_ai1.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fdj_13p.sdf -rw-rw-r-- root/root 3102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fdj_2fp.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fdj_g3p.sdf -rw-rw-r-- root/root 5166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fdk_gle.sdf -rw-rw-r-- root/root 4974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fdq_hxa.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fds_est.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fdu_est.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fdu_nap.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fdv_nad.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fdw_est.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fe2_lax.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fe3_ola.sdf -rw-rw-r-- root/root 5551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fel_fen.sdf -rw-rw-r-- root/root 4447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fen_aze.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fg7_pmp.sdf -rw-rw-r-- root/root 1565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fgh_ath.sdf -rw-rw-r-- root/root 3497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fgi_su1.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fgy_4ip.sdf -rw-rw-r-- root/root 2406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fhv_osb.sdf -rw-rw-r-- root/root 4495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fhw_i5p.sdf -rw-rw-r-- root/root 11824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fi1_rif.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fj6_f6p.sdf -rw-rw-r-- root/root 1234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fjw_iph.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fjx_sah.sdf -rw-rw-r-- root/root 2816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fk9_efz.sdf -rw-rw-r-- root/root 12774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fkb_rap.sdf -rw-rw-r-- root/root 11192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fkd_818.sdf -rw-rw-r-- root/root 11192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fkf_fk5.sdf -rw-rw-r-- root/root 6106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fkg_sb3.sdf -rw-rw-r-- root/root 6604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fkh_sbx.sdf -rw-rw-r-- root/root 6238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fki_sb1.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fkw_pur.sdf -rw-rw-r-- root/root 3151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fkx_prh.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fm6_9cr.sdf -rw-rw-r-- root/root 2881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fm7_dfv.sdf -rw-rw-r-- root/root 2788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fm8_ddc.sdf -rw-rw-r-- root/root 7349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fmb_hyb.sdf -rw-rw-r-- root/root 6149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fmc_cho.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fmw_atp.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fo2_dmj.sdf -rw-rw-r-- root/root 2582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fo3_kif.sdf -rw-rw-r-- root/root 2108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1foj_7i2.sdf -rw-rw-r-- root/root 1660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1foj_7ni.sdf -rw-rw-r-- root/root 2873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fp1_hcc.sdf -rw-rw-r-- root/root 2980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fp2_hmo.sdf -rw-rw-r-- root/root 3114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fpb_fdp.sdf -rw-rw-r-- root/root 3021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fpd_ahg.sdf -rw-rw-r-- root/root 3021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fpi_ahg.sdf -rw-rw-r-- root/root 3021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fpj_ahg.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fpp_fpp.sdf -rw-rw-r-- root/root 4334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fpu_prc.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fqj_gdp.sdf -rw-rw-r-- root/root 2643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fqo_f6r.sdf -rw-rw-r-- root/root 3828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1frb_zst.sdf -rw-rw-r-- root/root 4525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fro_gsb.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fsg_9dg.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fsg_prp.sdf -rw-rw-r-- root/root 4729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ft4_703.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ft7_plu.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fta_amp.sdf -rw-rw-r-- root/root 1981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ftl_dnq.sdf -rw-rw-r-- root/root 3463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ftx_epc.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fue_fmn.sdf -rw-rw-r-- root/root 2259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fup_pma.sdf -rw-rw-r-- root/root 2857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fuy_fip.sdf -rw-rw-r-- root/root 3490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fv0_9ar.sdf -rw-rw-r-- root/root 1708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fv9_172.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fvv_107.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fwm_cb3.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fx5_mrd.sdf -rw-rw-r-- root/root 1687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fxh_pac.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fxq_a5p.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fxq_pep.sdf -rw-rw-r-- root/root 3202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fxu_gu7.sdf -rw-rw-r-- root/root 3760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fxv_pnn.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fy6_a5p.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1fyf_ssa.sdf -rw-rw-r-- root/root 2513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g0h_ipd.sdf -rw-rw-r-- root/root 1573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g0n_phh.sdf -rw-rw-r-- root/root 2240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g0o_pyq.sdf -rw-rw-r-- root/root 4793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g27_bb1.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g2a_bb2.sdf -rw-rw-r-- root/root 7439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g2k_nm1.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g2o_imh.sdf -rw-rw-r-- root/root 5201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g36_r11.sdf -rw-rw-r-- root/root 2282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g3m_pcq.sdf -rw-rw-r-- root/root 4785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g49_111.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g4i_mrd.sdf -rw-rw-r-- root/root 3196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g4j_ffb.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g4k_hqq.sdf -rw-rw-r-- root/root 2712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g4p_fqp.sdf -rw-rw-r-- root/root 3668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g4s_tps.sdf -rw-rw-r-- root/root 3548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g4t_ftp.sdf -rw-rw-r-- root/root 5522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g5s_i17.sdf -rw-rw-r-- root/root 1514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g67_icp.sdf -rw-rw-r-- root/root 2126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g67_tzp.sdf -rw-rw-r-- root/root 1544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g6c_ifp.sdf -rw-rw-r-- root/root 2126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g6c_tzp.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g6i_dmj.sdf -rw-rw-r-- root/root 1768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g6s_gpj.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g6s_s3p.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g74_ola.sdf -rw-rw-r-- root/root 6495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g7f_inz.sdf -rw-rw-r-- root/root 7203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g7g_inx.sdf -rw-rw-r-- root/root 4314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g7v_pai.sdf -rw-rw-r-- root/root 2239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g85_3ol.sdf -rw-rw-r-- root/root 2384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g98_pa5.sdf -rw-rw-r-- root/root 2342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g9a_bab.sdf -rw-rw-r-- root/root 2342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g9b_bab.sdf -rw-rw-r-- root/root 2342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g9d_bab.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g9s_imp.sdf -rw-rw-r-- root/root 2217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g9s_n.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g9t_5gp.sdf -rw-rw-r-- root/root 4349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1g9v_rq3.sdf -rw-rw-r-- root/root 4965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gag_112.sdf -rw-rw-r-- root/root 7830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gah_acr.sdf -rw-rw-r-- root/root 7996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gai_gac.sdf -rw-rw-r-- root/root 7742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gar_u89.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gc6_i3p.sdf -rw-rw-r-- root/root 2513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gcz_yz9.sdf -rw-rw-r-- root/root 2450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1geb_cam.sdf -rw-rw-r-- root/root 4102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gey_ppe.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gfi_gdp.sdf -rw-rw-r-- root/root 2532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gfy_col.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gg1_pga.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gg2_gdp.sdf -rw-rw-r-- root/root 3569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gg5_e09.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ggd_faf.sdf -rw-rw-r-- root/root 3337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gi5_123.sdf -rw-rw-r-- root/root 3066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gi6_124.sdf -rw-rw-r-- root/root 2900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gi7_120.sdf -rw-rw-r-- root/root 2983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gi8_bmz.sdf -rw-rw-r-- root/root 3337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gi9_123.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gic_gyp.sdf -rw-rw-r-- root/root 4493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gij_2pu.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gil_gsp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gin_gdp.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1giu_ade.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gj6_132.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gj7_132.sdf -rw-rw-r-- root/root 4736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gj9_134.sdf -rw-rw-r-- root/root 3791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gjc_130.sdf -rw-rw-r-- root/root 8541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gka_axt.sdf -rw-rw-r-- root/root 2220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gkl_fer.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1glb_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1glc_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gld_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gle_adp.sdf -rw-rw-r-- root/root 4508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1glj_ats.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gll_acp.sdf -rw-rw-r-- root/root 3639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1glp_gts.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gm8_sox.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gm9_sox.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gn8_atp.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gni_ola.sdf -rw-rw-r-- root/root 4786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gnj_acd.sdf -rw-rw-r-- root/root 5956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gnp_agn.sdf -rw-rw-r-- root/root 6087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gnq_cag.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gol_atp.sdf -rw-rw-r-- root/root 3169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gp5_dqh.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gp6_que.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gpk_hup.sdf -rw-rw-r-- root/root 3560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gpn_hub.sdf -rw-rw-r-- root/root 4733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gpu_thd.sdf -rw-rw-r-- root/root 1731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gqg_dcd.sdf -rw-rw-r-- root/root 1515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gqh_koj.sdf -rw-rw-r-- root/root 2450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gqs_saf.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1grb_nad.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1grb_ndp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1grn_gdp.sdf -rw-rw-r-- root/root 2928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1grq_clk.sdf -rw-rw-r-- root/root 2953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1grr_clc.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gs3_equ.sdf -rw-rw-r-- root/root 5056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gs4_zk5.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gs5_anp.sdf -rw-rw-r-- root/root 2197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gs5_nlg.sdf -rw-rw-r-- root/root 2855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gsf_eaa.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gsi_tmp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gsj_anp.sdf -rw-rw-r-- root/root 2197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gsj_nlg.sdf -rw-rw-r-- root/root 4706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gsq_gdn.sdf -rw-rw-r-- root/root 4902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gss_lee.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gsu_gtx.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gsy_gsh.sdf -rw-rw-r-- root/root 4965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gsz_r71.sdf -rw-rw-r-- root/root 2239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gt1_3om.sdf -rw-rw-r-- root/root 2426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gt1_anc.sdf -rw-rw-r-- root/root 2370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gt1_prz.sdf -rw-rw-r-- root/root 2239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gt3_3om.sdf -rw-rw-r-- root/root 2757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gt3_dhm.sdf -rw-rw-r-- root/root 3017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gt4_una.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gt5_bzq.sdf -rw-rw-r-- root/root 1703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gt8_uaa.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gtb_pzq.sdf -rw-rw-r-- root/root 1173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gth_iur.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gth_ura.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gts_amp.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gtv_tmp.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gtv_tyd.sdf -rw-rw-r-- root/root 2032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gtz_dhk.sdf -rw-rw-r-- root/root 2032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gu1_fa1.sdf -rw-rw-r-- root/root 4525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1guh_gsb.sdf -rw-rw-r-- root/root 2034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gvc_nta.sdf -rw-rw-r-- root/root 2902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gvg_pcx.sdf -rw-rw-r-- root/root 1581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gw1_nin.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gw6_bes.sdf -rw-rw-r-- root/root 1847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gw9_lxc.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gwv_lat.sdf -rw-rw-r-- root/root 6009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gwx_433.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gx1_cdp.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gx2_bho.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gx8_rtl.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gx9_rea.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gxa_plm.sdf -rw-rw-r-- root/root 1432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gxz_brt.sdf -rw-rw-r-- root/root 3105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gyk_cdg.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gym_myg.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gyp_nad.sdf -rw-rw-r-- root/root 7707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gyq_nbd.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gyx_bez.sdf -rw-rw-r-- root/root 1811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gyy_fhc.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gzf_adp.sdf -rw-rw-r-- root/root 3185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gzf_nir.sdf -rw-rw-r-- root/root 4165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gzm_lda.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gzp_d12.sdf -rw-rw-r-- root/root 12013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gzp_gm2.sdf -rw-rw-r-- root/root 5951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gzp_twt.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gzq_d12.sdf -rw-rw-r-- root/root 12073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gzq_pii.sdf -rw-rw-r-- root/root 5951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gzq_twt.sdf -rw-rw-r-- root/root 4784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gzr_c15.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1gzu_nmn.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h0a_i3p.sdf -rw-rw-r-- root/root 3818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h0j_sds.sdf -rw-rw-r-- root/root 2301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h0s_fa6.sdf -rw-rw-r-- root/root 4704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h1d_bia.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h1d_sam.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h1i_que.sdf -rw-rw-r-- root/root 2910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h1m_kmp.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h1t_coa.sdf -rw-rw-r-- root/root 6800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h22_e10.sdf -rw-rw-r-- root/root 7320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h23_e12.sdf -rw-rw-r-- root/root 5346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h2j_dcb.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h2k_oga.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h2m_oga.sdf -rw-rw-r-- root/root 1315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h2z_sin.sdf -rw-rw-r-- root/root 4475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h35_r01.sdf -rw-rw-r-- root/root 4287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h36_r88.sdf -rw-rw-r-- root/root 4914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h37_r02.sdf -rw-rw-r-- root/root 5326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h39_r03.sdf -rw-rw-r-- root/root 4649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h3a_r04.sdf -rw-rw-r-- root/root 4983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h3b_r46.sdf -rw-rw-r-- root/root 4983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h3c_r79.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h4q_atp.sdf -rw-rw-r-- root/root 1484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h4q_pri.sdf -rw-rw-r-- root/root 4750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h4s_psd.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h4w_ben.sdf -rw-rw-r-- root/root 2859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h66_rh1.sdf -rw-rw-r-- root/root 3867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h69_arh.sdf -rw-rw-r-- root/root 2268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h70_cir.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h7x_ndp.sdf -rw-rw-r-- root/root 1173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h7x_urf.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h81_fad.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h82_fad.sdf -rw-rw-r-- root/root 5817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h82_gzz.sdf -rw-rw-r-- root/root 2663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h83_dia.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h83_fad.sdf -rw-rw-r-- root/root 5354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h87_do3.sdf -rw-rw-r-- root/root 8925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h8d_phw.sdf -rw-rw-r-- root/root 2553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h8l_gem.sdf -rw-rw-r-- root/root 5059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h9u_lg2.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h9z_myr.sdf -rw-rw-r-- root/root 3590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1h9z_rwf.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ha2_myr.sdf -rw-rw-r-- root/root 3594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ha2_swf.sdf -rw-rw-r-- root/root 5595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hak_k21.sdf -rw-rw-r-- root/root 4317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hb1_ocv.sdf -rw-rw-r-- root/root 4229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hb2_scv.sdf -rw-rw-r-- root/root 8271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hbv_gan.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hcx_cht.sdf -rw-rw-r-- root/root 3645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hcx_ddq.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hd2_bez.sdf -rw-rw-r-- root/root 8132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hdc_cbo.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hdi_amp.sdf -rw-rw-r-- root/root 2573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hdq_inf.sdf -rw-rw-r-- root/root 2480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hdu_ing.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1he1_gdp.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1he2_bla.sdf -rw-rw-r-- root/root 7308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1he3_mbv.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1he4_fmn.sdf -rw-rw-r-- root/root 2624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1he5_lum.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1he8_gnp.sdf -rw-rw-r-- root/root 2573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hee_lhy.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1het_mrd.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1het_nad.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hf3_mrd.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hf3_nad.sdf -rw-rw-r-- root/root 5763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hf6_ctr.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hfa_pio.sdf -rw-rw-r-- root/root 4661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hfc_plh.sdf -rw-rw-r-- root/root 4924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hfp_mot.sdf -rw-rw-r-- root/root 4924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hfq_mot.sdf -rw-rw-r-- root/root 4924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hfr_mot.sdf -rw-rw-r-- root/root 8996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hfs_l04.sdf -rw-rw-r-- root/root 3112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hg2_ip2.sdf -rw-rw-r-- root/root 9925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hg4_lpp.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hg5_ihp.sdf -rw-rw-r-- root/root 3881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hge_mna.sdf -rw-rw-r-- root/root 3881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hgh_mna.sdf -rw-rw-r-- root/root 4329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hgi_ana.sdf -rw-rw-r-- root/root 3964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hgj_amn.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hi3_a2p.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hi4_a3p.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hi5_adp.sdf -rw-rw-r-- root/root 8177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hii_c20.sdf -rw-rw-r-- root/root 10824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hiv_1zk.sdf -rw-rw-r-- root/root 3967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hiy_3an.sdf -rw-rw-r-- root/root 8253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hj1_aoe.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hj6_nap.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hjo_adp.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hk1_t44.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hk2_t44.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hk3_t44.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hk5_myr.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hkd_gyp.sdf -rw-rw-r-- root/root 2244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hkn_n2m.sdf -rw-rw-r-- root/root 1506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hld_brb.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hld_nad.sdf -rw-rw-r-- root/root 1545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hld_pfb.sdf -rw-rw-r-- root/root 3429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hlk_113.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hlu_atp.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hm9_aco.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hmp_5gp.sdf -rw-rw-r-- root/root 4763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hmr_ela.sdf -rw-rw-r-- root/root 2426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hn2_anc.sdf -rw-rw-r-- root/root 6726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hn4_mji.sdf -rw-rw-r-- root/root 4706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hna_gdn.sdf -rw-rw-r-- root/root 4706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hnc_gdn.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hnd_coa.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hnh_coa.sdf -rw-rw-r-- root/root 3580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hni_aaa.sdf -rw-rw-r-- root/root 8325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hnj_mlc.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hnn_sah.sdf -rw-rw-r-- root/root 2396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hnn_skf.sdf -rw-rw-r-- root/root 3736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hnv_tbo.sdf -rw-rw-r-- root/root 2577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ho4_pxp.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ho5_adn.sdf -rw-rw-r-- root/root 4059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hon_gnh.sdf -rw-rw-r-- root/root 4059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hoo_gnh.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hop_gcp.sdf -rw-rw-r-- root/root 2891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hor_agp.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hox_f6p.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hpm_adp.sdf -rw-rw-r-- root/root 5839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hpo_uni.sdf -rw-rw-r-- root/root 4050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hpu_a12.sdf -rw-rw-r-- root/root 6288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hpv_478.sdf -rw-rw-r-- root/root 3573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hpz_aap.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hq2_apc.sdf -rw-rw-r-- root/root 2150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hq2_ph2.sdf -rw-rw-r-- root/root 2376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hq5_s2c.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hqf_har.sdf -rw-rw-r-- root/root 1905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hqg_orn.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hqh_nnh.sdf -rw-rw-r-- root/root 7554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hrn_03d.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hs6_bes.sdf -rw-rw-r-- root/root 8251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hsh_mk1.sdf -rw-rw-r-- root/root 893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hso_pyz.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hsr_bho.sdf -rw-rw-r-- root/root 3115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ht5_fl2.sdf -rw-rw-r-- root/root 2564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ht8_34c.sdf -rw-rw-r-- root/root 5250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hte_g23.sdf -rw-rw-r-- root/root 7110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1htf_g26.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hti_pga.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hty_mrd.sdf -rw-rw-r-- root/root 1464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hu0_oxg.sdf -rw-rw-r-- root/root 1775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hu9_4hm.sdf -rw-rw-r-- root/root 538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hug_auc.sdf -rw-rw-r-- root/root 4390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1huo_tte.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1huz_mdn.sdf -rw-rw-r-- root/root 7417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hvh_q82.sdf -rw-rw-r-- root/root 7630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hvr_xk2.sdf -rw-rw-r-- root/root 5800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hw8_114.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hw8_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hw9_adp.sdf -rw-rw-r-- root/root 6320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hw9_sim.sdf -rw-rw-r-- root/root 5075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hwi_115.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hwi_adp.sdf -rw-rw-r-- root/root 6174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hwj_116.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hwj_adp.sdf -rw-rw-r-- root/root 6868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hwk_117.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hwk_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hwl_adp.sdf -rw-rw-r-- root/root 5673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hwl_fbi.sdf -rw-rw-r-- root/root 5412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hwr_216.sdf -rw-rw-r-- root/root 4183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hx9_fhp.sdf -rw-rw-r-- root/root 4183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hxa_fhp.sdf -rw-rw-r-- root/root 8866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hxb_roc.sdf -rw-rw-r-- root/root 4183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hxc_fhp.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hxk_dmj.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hxk_mrd.sdf -rw-rw-r-- root/root 4460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hy7_mbs.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hyb_nmn.sdf -rw-rw-r-- root/root 1848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hyo_hbu.sdf -rw-rw-r-- root/root 2480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hyt_bzs.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hzp_dao.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1hzx_bng.sdf -rw-rw-r-- root/root 4923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i00_d16.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i00_ump.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i10_nai.sdf -rw-rw-r-- root/root 880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i10_oxm.sdf -rw-rw-r-- root/root 6197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i1e_dm2.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i2l_dcs.sdf -rw-rw-r-- root/root 2958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i2z_654.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i2z_nad.sdf -rw-rw-r-- root/root 1607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i30_826.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i30_nad.sdf -rw-rw-r-- root/root 6580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i32_nmd.sdf -rw-rw-r-- root/root 6652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i33_tnd.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i38_dht.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i44_acp.sdf -rw-rw-r-- root/root 2394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i5o_pal.sdf -rw-rw-r-- root/root 8993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i5r_hyc.sdf -rw-rw-r-- root/root 5589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i6k_tym.sdf -rw-rw-r-- root/root 5589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i6m_tym.sdf -rw-rw-r-- root/root 10477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i6v_rfp.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i75_noj.sdf -rw-rw-r-- root/root 2282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i7c_mgb.sdf -rw-rw-r-- root/root 4375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i7e_ibs.sdf -rw-rw-r-- root/root 4718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i7g_az2.sdf -rw-rw-r-- root/root 4718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i7i_az2.sdf -rw-rw-r-- root/root 2849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i7m_cg.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i80_9hx.sdf -rw-rw-r-- root/root 1845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i80_imr.sdf -rw-rw-r-- root/root 2075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i83_ntu.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i8z_inl.sdf -rw-rw-r-- root/root 4428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i91_inq.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i9h_bni.sdf -rw-rw-r-- root/root 3174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i9o_ioc.sdf -rw-rw-r-- root/root 3174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i9p_ioe.sdf -rw-rw-r-- root/root 3174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i9q_iof.sdf -rw-rw-r-- root/root 3114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1i9z_2ip.sdf -rw-rw-r-- root/root 2885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ia1_tq3.sdf -rw-rw-r-- root/root 3145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ia2_tq4.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ia9_anp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iah_adp.sdf -rw-rw-r-- root/root 2258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iay_avg.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1icm_myr.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1icn_ola.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1icr_nio.sdf -rw-rw-r-- root/root 9312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ida_0po.sdf -rw-rw-r-- root/root 8248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1idb_0do.sdf -rw-rw-r-- root/root 2477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1idt_cb1.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ie4_t44.sdf -rw-rw-r-- root/root 7185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ie8_kh1.sdf -rw-rw-r-- root/root 6572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ie9_vdx.sdf -rw-rw-r-- root/root 3463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iei_zes.sdf -rw-rw-r-- root/root 1669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1if2_129.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1if7_sbr.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1if9_sbb.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ifs_ade.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ifu_fmc.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ig1_anp.sdf -rw-rw-r-- root/root 3212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ig3_vib.sdf -rw-rw-r-- root/root 2308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1igb_ipo.sdf -rw-rw-r-- root/root 4620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1igx_epa.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1igz_eic.sdf -rw-rw-r-- root/root 6067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ihi_iu5.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ij8_bni.sdf -rw-rw-r-- root/root 7288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ijr_cc0.sdf -rw-rw-r-- root/root 4789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ik3_13s.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ik4_pgh.sdf -rw-rw-r-- root/root 4681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ikg_rex.sdf -rw-rw-r-- root/root 1211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iki_dal.sdf -rw-rw-r-- root/root 3798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iki_rey.sdf -rw-rw-r-- root/root 2816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ikv_efz.sdf -rw-rw-r-- root/root 2898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ikx_pnu.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iky_msd.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1il3_7dg.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1il4_9dg.sdf -rw-rw-r-- root/root 1514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1il5_ddp.sdf -rw-rw-r-- root/root 1714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1il9_mog.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ilz_bog.sdf -rw-rw-r-- root/root 2513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ima_ipd.sdf -rw-rw-r-- root/root 2513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1imb_lip.sdf -rw-rw-r-- root/root 2834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1inf_st4.sdf -rw-rw-r-- root/root 2763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ing_st5.sdf -rw-rw-r-- root/root 2947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1inh_st6.sdf -rw-rw-r-- root/root 3705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1inv_eqp.sdf -rw-rw-r-- root/root 3705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1inw_axp.sdf -rw-rw-r-- root/root 3705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1inx_eqp.sdf -rw-rw-r-- root/root 3705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iny_eqp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iov_adp.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iov_pob.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iow_adp.sdf -rw-rw-r-- root/root 2766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iow_phy.sdf -rw-rw-r-- root/root 5921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iqh_xmf.sdf -rw-rw-r-- root/root 5921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iqi_xmg.sdf -rw-rw-r-- root/root 5567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iqk_xmi.sdf -rw-rw-r-- root/root 5366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iql_xmj.sdf -rw-rw-r-- root/root 5438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iqm_xmk.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ir3_anp.sdf -rw-rw-r-- root/root 5617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1irj_cps.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1isg_ags.sdf -rw-rw-r-- root/root 6055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ish_enp.sdf -rw-rw-r-- root/root 5551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1isi_enq.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1isi_nca.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1isj_nmn.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ism_nca.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iso_nad.sdf -rw-rw-r-- root/root 2399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iss_mcg.sdf -rw-rw-r-- root/root 10750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1it6_cyu.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1it7_gun.sdf -rw-rw-r-- root/root 1725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1it8_pq0.sdf -rw-rw-r-- root/root 3158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1itu_cil.sdf -rw-rw-r-- root/root 1600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iut_pab.sdf -rw-rw-r-- root/root 2364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ivb_st1.sdf -rw-rw-r-- root/root 2316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ivc_st2.sdf -rw-rw-r-- root/root 2364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ivd_st1.sdf -rw-rw-r-- root/root 2223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ive_st3.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ivf_dan.sdf -rw-rw-r-- root/root 10824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ivp_1zk.sdf -rw-rw-r-- root/root 8457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ivq_0px.sdf -rw-rw-r-- root/root 3920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ivr_cba.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iw0_suc.sdf -rw-rw-r-- root/root 4094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iwh_pem.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ix1_bb2.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ixn_dxp.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ixn_g3p.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ixo_g3p.sdf -rw-rw-r-- root/root 2580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iy7_cxa.sdf -rw-rw-r-- root/root 3994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iye_pgu.sdf -rw-rw-r-- root/root 4928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1iyl_r64.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1izo_pam.sdf -rw-rw-r-- root/root 3193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j01_xil.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j06_ae3.sdf -rw-rw-r-- root/root 7179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j07_dcu.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j0c_plp.sdf -rw-rw-r-- root/root 3562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j0d_5pa.sdf -rw-rw-r-- root/root 2749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j0n_ceg.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j14_ben.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j16_ben.sdf -rw-rw-r-- root/root 5565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j17_zen.sdf -rw-rw-r-- root/root 6554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j1a_bhp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j1b_anp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j1c_adp.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j1r_ade.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j1s_fmp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j1z_atp.sdf -rw-rw-r-- root/root 2268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j1z_cir.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j20_amp.sdf -rw-rw-r-- root/root 3430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j20_as1.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j21_atp.sdf -rw-rw-r-- root/root 2268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j21_cir.sdf -rw-rw-r-- root/root 2124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j2y_dqa.sdf -rw-rw-r-- root/root 5381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j36_lpr.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j37_x8z.sdf -rw-rw-r-- root/root 3840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j3i_wra.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j3j_cp6.sdf -rw-rw-r-- root/root 3840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j3k_wra.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j3r_6pg.sdf -rw-rw-r-- root/root 5426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j4h_sub.sdf -rw-rw-r-- root/root 4777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j4i_tst.sdf -rw-rw-r-- root/root 7841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j4r_001.sdf -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j51_tcz.sdf -rw-rw-r-- root/root 5006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j6z_rho.sdf -rw-rw-r-- root/root 6479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j78_vdy.sdf -rw-rw-r-- root/root 1443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j79_oro.sdf -rw-rw-r-- root/root 6087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j7e_jy.sdf -rw-rw-r-- root/root 1399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j91_tbs.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j96_tes.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j99_and.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1j9g_fmn.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jah_gcp.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jao_0d3.sdf -rw-rw-r-- root/root 3852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jaq_01s.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jbv_acp.sdf -rw-rw-r-- root/root 4965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jbw_acq.sdf -rw-rw-r-- root/root 4947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jbw_tmf.sdf -rw-rw-r-- root/root 3732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jcm_137.sdf -rw-rw-r-- root/root 6510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jcq_739.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jcq_fpp.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jcr_fpp.sdf -rw-rw-r-- root/root 4817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jcs_fii.sdf -rw-rw-r-- root/root 2069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jct_gkr.sdf -rw-rw-r-- root/root 4314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jcx_pai.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jcy_pep.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jcy_r5p.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jd0_azm.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jd3_phb.sdf -rw-rw-r-- root/root 1810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jdf_glr.sdf -rw-rw-r-- root/root 1289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jdj_cfp.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jdt_mta.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jdv_adn.sdf -rw-rw-r-- root/root 2884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jdz_fmb.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1je1_gmp.sdf -rw-rw-r-- root/root 2788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jep_dfl.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jf2_czh.sdf -rw-rw-r-- root/root 7088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jg0_ddt.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jg0_ump.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jg9_glc.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jgi_suc.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jgt_apc.sdf -rw-rw-r-- root/root 3148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jgt_cma.sdf -rw-rw-r-- root/root 2847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jh1_jst.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jh8_ade.sdf -rw-rw-r-- root/root 3434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jha_aam.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jha_nio.sdf -rw-rw-r-- root/root 1695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jhm_5mb.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jho_nio.sdf -rw-rw-r-- root/root 3675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jho_rmb.sdf -rw-rw-r-- root/root 1790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jhp_5ob.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jhq_nio.sdf -rw-rw-r-- root/root 3770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jhq_pmo.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jhr_nio.sdf -rw-rw-r-- root/root 3342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jhr_p2p.sdf -rw-rw-r-- root/root 1498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jhu_pcr.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jhv_nio.sdf -rw-rw-r-- root/root 1498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jhv_pcr.sdf -rw-rw-r-- root/root 1234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jhx_iph.sdf -rw-rw-r-- root/root 1234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jhy_iph.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jhy_nio.sdf -rw-rw-r-- root/root 4738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jii_383.sdf -rw-rw-r-- root/root 4891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jij_629.sdf -rw-rw-r-- root/root 5931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jik_545.sdf -rw-rw-r-- root/root 4620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jil_485.sdf -rw-rw-r-- root/root 5829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jin_ktn.sdf -rw-rw-r-- root/root 5829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jip_ktn.sdf -rw-rw-r-- root/root 4536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jiz_cgs.sdf -rw-rw-r-- root/root 4101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jj9_bbt.sdf -rw-rw-r-- root/root 4622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jjb_pe7.sdf -rw-rw-r-- root/root 5208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jjc_fa5.sdf -rw-rw-r-- root/root 3947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jje_bys.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jjt_bds.sdf -rw-rw-r-- root/root 5662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jk3_bat.sdf -rw-rw-r-- root/root 11148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jk7_oka.sdf -rw-rw-r-- root/root 2715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jki_dg6.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jkl_anp.sdf -rw-rw-r-- root/root 8064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jkx_138.sdf -rw-rw-r-- root/root 4632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jla_tnk.sdf -rw-rw-r-- root/root 8828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jld_0pp.sdf -rw-rw-r-- root/root 3638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jlg_uc1.sdf -rw-rw-r-- root/root 3126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jlq_sbn.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jls_prp.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jls_ura.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jlt_mrd.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jmf_ump.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jmg_ump.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jmh_ump.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jmi_ump.sdf -rw-rw-r-- root/root 5139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jn2_sfp.sdf -rw-rw-r-- root/root 6159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jn4_139.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jnk_anp.sdf -rw-rw-r-- root/root 3333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jnq_egt.sdf -rw-rw-r-- root/root 5195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jom_ffo.sdf -rw-rw-r-- root/root 2686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jp3_egc.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jpa_anp.sdf -rw-rw-r-- root/root 1580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jqd_hsm.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jqd_sah.sdf -rw-rw-r-- root/root 5219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jqe_qun.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jqe_sah.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jqh_anp.sdf -rw-rw-r-- root/root 5635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jqy_a32.sdf -rw-rw-r-- root/root 5375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jr0_a24.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jr1_imp.sdf -rw-rw-r-- root/root 4915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jr4_cl4.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jrc_fmn.sdf -rw-rw-r-- root/root 2490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jsz_ndm.sdf -rw-rw-r-- root/root 2220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jt2_fer.sdf -rw-rw-r-- root/root 6654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jt6_deq.sdf -rw-rw-r-- root/root 4402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jtf_m7g.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jtv_tes.sdf -rw-rw-r-- root/root 5240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jtx_cvi.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jty_et.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ju4_bez.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ju9_nad.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jub_fmn.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jum_ber.sdf -rw-rw-r-- root/root 4544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jup_mgr.sdf -rw-rw-r-- root/root 5805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jus_rhq.sdf -rw-rw-r-- root/root 4728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jut_lyd.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jut_ump.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1juy_gdp.sdf -rw-rw-r-- root/root 2790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1juy_h5p.sdf -rw-rw-r-- root/root 1232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1juy_hda.sdf -rw-rw-r-- root/root 1836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jv4_tzl.sdf -rw-rw-r-- root/root 3076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jvi_rhc.sdf -rw-rw-r-- root/root 3225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jvu_c2p.sdf -rw-rw-r-- root/root 4016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jvz_cen.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jwj_h4b.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jwk_hbi.sdf -rw-rw-r-- root/root 5968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jwt_bli.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jwy_adp.sdf -rw-rw-r-- root/root 2881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jx0_dfv.sdf -rw-rw-r-- root/root 2881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jx1_dfv.sdf -rw-rw-r-- root/root 3696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jx4_adi.sdf -rw-rw-r-- root/root 2160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jx6_ai2.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jxl_dg3.sdf -rw-rw-r-- root/root 2425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jxn_mfu.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jys_ade.sdf -rw-rw-r-- root/root 5165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jzq_ila.sdf -rw-rw-r-- root/root 7030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1jzs_mrc.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k02_fmn.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k0a_gtx.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k0b_gsh.sdf -rw-rw-r-- root/root 4750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k0c_gtb.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k0i_phb.sdf -rw-rw-r-- root/root 1937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k0u_dea.sdf -rw-rw-r-- root/root 6519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k0y_cno.sdf -rw-rw-r-- root/root 5824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k1i_fd1.sdf -rw-rw-r-- root/root 6084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k1j_fd2.sdf -rw-rw-r-- root/root 5459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k1l_fd3.sdf -rw-rw-r-- root/root 5907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k1m_fd4.sdf -rw-rw-r-- root/root 6158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k1o_ign.sdf -rw-rw-r-- root/root 5589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k1p_mel.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k27_mtm.sdf -rw-rw-r-- root/root 13069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k2o_rfa.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k3a_acp.sdf -rw-rw-r-- root/root 4091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k3t_brz.sdf -rw-rw-r-- root/root 3216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k3u_iad.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k3y_gtx.sdf -rw-rw-r-- root/root 2971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k4g_aiq.sdf -rw-rw-r-- root/root 3104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k4h_apq.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k4w_ste.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k5g_gdp.sdf -rw-rw-r-- root/root 1687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k5q_pac.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k5s_gro.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k70_hpy.sdf -rw-rw-r-- root/root 6176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k74_544.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k7d_gro.sdf -rw-rw-r-- root/root 2679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k7e_iag.sdf -rw-rw-r-- root/root 3459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k7f_iav.sdf -rw-rw-r-- root/root 6176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k7l_544.sdf -rw-rw-r-- root/root 3430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k7w_as1.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k8y_13p.sdf -rw-rw-r-- root/root 4248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k90_3at.sdf -rw-rw-r-- root/root 3228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k9s_fm1.sdf -rw-rw-r-- root/root 3329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1k9s_fm2.sdf -rw-rw-r-- root/root 3170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kak_fnp.sdf -rw-rw-r-- root/root 4564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kav_fep.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kax_atp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kay_atp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kaz_atp.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kbi_fmn.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kbj_fmn.sdf -rw-rw-r-- root/root 3676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kbo_340.sdf -rw-rw-r-- root/root 3901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kbq_936.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kc7_ppr.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kcl_mal.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kdk_dht.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kdn_adp.sdf -rw-rw-r-- root/root 3899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ke6_ls2.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ke7_ls3.sdf -rw-rw-r-- root/root 3820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ke8_ls4.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kec_gro.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kej_dad.sdf -rw-rw-r-- root/root 4580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kek_htl.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kf0_acp.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kfl_pep.sdf -rw-rw-r-- root/root 2818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kgi_t4a.sdf -rw-rw-r-- root/root 3000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kgj_fl8.sdf -rw-rw-r-- root/root 2096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kgt_pml.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kh2_atp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kh3_anp.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1khb_gcp.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1khe_gcp.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1khf_pep.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1khr_coa.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ki0_bcn.sdf -rw-rw-r-- root/root 2857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ki2_ga2.sdf -rw-rw-r-- root/root 3023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ki3_pe2.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ki4_btd.sdf -rw-rw-r-- root/root 2858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ki6_ahu.sdf -rw-rw-r-- root/root 2598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ki7_id2.sdf -rw-rw-r-- root/root 2953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ki8_bvd.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kim_thm.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kiu_mma.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kj8_gar.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kjx_imp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kjy_gdp.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kk4_aco.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kk8_adp.sdf -rw-rw-r-- root/root 860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kkf_dpo.sdf -rw-rw-r-- root/root 7336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kkq_471.sdf -rw-rw-r-- root/root 4178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1klk_pmd.sdf -rw-rw-r-- root/root 5435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1klm_spp.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kly_up6.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1km1_up6.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1km2_up6.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1km3_up6.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1km5_up6.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1km6_omp.sdf -rw-rw-r-- root/root 5392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kmh_ttx.sdf -rw-rw-r-- root/root 4975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kmm_ham.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kmn_atp.sdf -rw-rw-r-- root/root 2032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kmn_hso.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kmq_gnp.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kms_lih.sdf -rw-rw-r-- root/root 4029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kmv_lii.sdf -rw-rw-r-- root/root 1950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kmy_bpy.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1knd_caq.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1knf_mbd.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1knj_c5p.sdf -rw-rw-r-- root/root 5015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1knu_ypa.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ko5_atp.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ko8_6pg.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kof_acp.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kog_tsb.sdf -rw-rw-r-- root/root 2559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1koj_pan.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kor_anp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kpe_adw.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kpf_amp.sdf -rw-rw-r-- root/root 5448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kpg_16a.sdf -rw-rw-r-- root/root 6228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kph_10a.sdf -rw-rw-r-- root/root 6228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kpi_10a.sdf -rw-rw-r-- root/root 7152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kpm_vit.sdf -rw-rw-r-- root/root 1821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kq0_med.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kqc_fmn.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kqm_anp.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kqn_nad.sdf -rw-rw-r-- root/root 6532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kqo_dnd.sdf -rw-rw-r-- root/root 5552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kqu_br4.sdf -rw-rw-r-- root/root 6418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kr2_tad.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kre_dmj.sdf -rw-rw-r-- root/root 2582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1krf_kif.sdf -rw-rw-r-- root/root 3151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1krm_prh.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kru_ipt.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1krv_147.sdf -rw-rw-r-- root/root 5479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ksn_fxv.sdf -rw-rw-r-- root/root 5050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ksw_nbs.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kt7_rtl.sdf -rw-rw-r-- root/root 4234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kt8_ilp.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kta_pmp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kvk_atp.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kvl_cls.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kvl_thn.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kvo_oap.sdf -rw-rw-r-- root/root 2737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kw1_lg6.sdf -rw-rw-r-- root/root 1950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kwc_bpy.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kwu_mma.sdf -rw-rw-r-- root/root 2425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kww_mfu.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kwx_mfb.sdf -rw-rw-r-- root/root 7830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kxh_acr.sdf -rw-rw-r-- root/root 2801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ky5_ady.sdf -rw-rw-r-- root/root 4060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kyn_ktp.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kyv_rbf.sdf -rw-rw-r-- root/root 2481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kyw_hfl.sdf -rw-rw-r-- root/root 4122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kyx_crm.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kyy_ini.sdf -rw-rw-r-- root/root 2220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kyz_fer.sdf -rw-rw-r-- root/root 4763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kz8_pfe.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kzj_cb3.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kzj_ump.sdf -rw-rw-r-- root/root 7793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kzn_cbn.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kzo_far.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kzo_fpp.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1kzp_far.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l0g_suc.sdf -rw-rw-r-- root/root 4364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l2j_etc.sdf -rw-rw-r-- root/root 2543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l2s_stc.sdf -rw-rw-r-- root/root 3257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l3l_lae.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4e_rbz.sdf -rw-rw-r-- root/root 2012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4f_150.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4f_ncn.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4g_mct.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4g_ncn.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4h_ind.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4h_ncn.sdf -rw-rw-r-- root/root 1836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4k_34a.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4k_ncn.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4l_ncn.sdf -rw-rw-r-- root/root 1835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4l_xyd.sdf -rw-rw-r-- root/root 1668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4m_2ac.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4m_ncn.sdf -rw-rw-r-- root/root 1409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4n_2af.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l4n_nio.sdf -rw-rw-r-- root/root 1434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l5f_bzi.sdf -rw-rw-r-- root/root 3416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l5k_1rb.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l5k_nio.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l5l_7rp.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l5l_nio.sdf -rw-rw-r-- root/root 3425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l5m_7ra.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l5m_nio.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l5o_2mp.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l5o_ncn.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l5r_mrd.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l5s_mrd.sdf -rw-rw-r-- root/root 3454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l6f_pp3.sdf -rw-rw-r-- root/root 3455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l6g_pdd.sdf -rw-rw-r-- root/root 1612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l6m_dbh.sdf -rw-rw-r-- root/root 2590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l6m_dbs.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l7f_bcz.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l7g_bcz.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l7h_bcz.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l7q_bez.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l8a_tdp.sdf -rw-rw-r-- root/root 4192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l8g_dbd.sdf -rw-rw-r-- root/root 1410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l8p_pah.sdf -rw-rw-r-- root/root 6184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l8t_kan.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l9h_bng.sdf -rw-rw-r-- root/root 1874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1l9w_dhs.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lbk_gsh.sdf -rw-rw-r-- root/root 3732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lbl_137.sdf -rw-rw-r-- root/root 3732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lbm_137.sdf -rw-rw-r-- root/root 8262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lbt_t80.sdf -rw-rw-r-- root/root 2513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lbx_ipd.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lby_f6p.sdf -rw-rw-r-- root/root 3115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lbz_fbp.sdf -rw-rw-r-- root/root 2021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lc7_tpo.sdf -rw-rw-r-- root/root 3990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lc8_33p.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lca_cb3.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lca_ump.sdf -rw-rw-r-- root/root 4840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lcb_dhf.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lcb_tmp.sdf -rw-rw-r-- root/root 4947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lce_tmf.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lce_ump.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lco_fmn.sdf -rw-rw-r-- root/root 1872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lco_ppy.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lcp_plu.sdf -rw-rw-r-- root/root 2661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lcv_snr.sdf -rw-rw-r-- root/root 3182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lcw_shm.sdf -rw-rw-r-- root/root 4587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lcz_bh7.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ld7_fpp.sdf -rw-rw-r-- root/root 5573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ld7_u66.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ld8_fpp.sdf -rw-rw-r-- root/root 4988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ld8_u49.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ldc_fmn.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ldc_pyr.sdf -rw-rw-r-- root/root 1741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lde_fpi.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lde_nad.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ldg_nai.sdf -rw-rw-r-- root/root 880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ldg_oxm.sdf -rw-rw-r-- root/root 2661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ldo_snr.sdf -rw-rw-r-- root/root 3182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ldq_shm.sdf -rw-rw-r-- root/root 2002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ldy_cxf.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ldy_nad.sdf -rw-rw-r-- root/root 7166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lee_r36.sdf -rw-rw-r-- root/root 4587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lel_bh7.sdf -rw-rw-r-- root/root 2625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lev_cli.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lf0_gnp.sdf -rw-rw-r-- root/root 7166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lf2_r37.sdf -rw-rw-r-- root/root 9918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lf3_eh5.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lfd_gnp.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lgt_bp3.sdf -rw-rw-r-- root/root 1443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lh0_oro.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lh0_prp.sdf -rw-rw-r-- root/root 4745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lhn_aon.sdf -rw-rw-r-- root/root 4745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lho_aom.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lhu_est.sdf -rw-rw-r-- root/root 4601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lhv_nog.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lhw_esm.sdf -rw-rw-r-- root/root 3133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1li4_noc.sdf -rw-rw-r-- root/root 4671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lic_hds.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lid_ola.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lie_plm.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lif_ste.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lii_adn.sdf -rw-rw-r-- root/root 1619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lij_rpp.sdf -rw-rw-r-- root/root 5150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ljn_cbs.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ljr_gsh.sdf -rw-rw-r-- root/root 2762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ljt_hdi.sdf -rw-rw-r-- root/root 2034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lk7_der.sdf -rw-rw-r-- root/root 2267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lkd_bp6.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lo6_ben.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lob_mma.sdf -rw-rw-r-- root/root 3078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lod_mur.sdf -rw-rw-r-- root/root 1462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lol_bu2.sdf -rw-rw-r-- root/root 3536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lol_xmp.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1los_up6.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lp6_c5p.sdf -rw-rw-r-- root/root 9416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lpa_plc.sdf -rw-rw-r-- root/root 5697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lpk_cbb.sdf -rw-rw-r-- root/root 4671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lpo_hds.sdf -rw-rw-r-- root/root 4671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lpp_hds.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lpq_8og.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lpu_ben.sdf -rw-rw-r-- root/root 4950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lpz_cmb.sdf -rw-rw-r-- root/root 5448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lqd_cmi.sdf -rw-rw-r-- root/root 3662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lr8_ihs.sdf -rw-rw-r-- root/root 2235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lrh_nla.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lri_clr.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lro_pep.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lrq_a5p.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lrq_pep.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lrt_imp.sdf -rw-rw-r-- root/root 1458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ls6_npo.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lt5_tdg.sdf -rw-rw-r-- root/root 3326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lt6_gaa.sdf -rw-rw-r-- root/root 2894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lt8_cbh.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ltx_far.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ltz_hbi.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1luq_btn.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lv0_ger.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lv2_plm.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lv5_dcp.sdf -rw-rw-r-- root/root 5322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lvk_mnt.sdf -rw-rw-r-- root/root 3072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lvu_9pp.sdf -rw-rw-r-- root/root 3355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lw2_u05.sdf -rw-rw-r-- root/root 1713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lwv_ang.sdf -rw-rw-r-- root/root 1547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lww_brg.sdf -rw-rw-r-- root/root 3898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lwx_azd.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lx6_nad.sdf -rw-rw-r-- root/root 4902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lx6_zam.sdf -rw-rw-r-- root/root 4028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lxc_aym.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lxc_nad.sdf -rw-rw-r-- root/root 4205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ly3_cog.sdf -rw-rw-r-- root/root 4122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ly4_coq.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lzi_udp.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1lzj_udp.sdf -rw-rw-r-- root/root 4090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m0n_hcp.sdf -rw-rw-r-- root/root 3983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m0o_mpm.sdf -rw-rw-r-- root/root 4371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m0p_elp.sdf -rw-rw-r-- root/root 3463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m0q_epc.sdf -rw-rw-r-- root/root 8072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m13_hyf.sdf -rw-rw-r-- root/root 4731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m17_aq4.sdf -rw-rw-r-- root/root 1338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m1b_spv.sdf -rw-rw-r-- root/root 1127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m1o_caa.sdf -rw-rw-r-- root/root 2685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m2p_hna.sdf -rw-rw-r-- root/root 2592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m2q_mnx.sdf -rw-rw-r-- root/root 2814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m2r_mny.sdf -rw-rw-r-- root/root 5149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m2z_dex.sdf -rw-rw-r-- root/root 1713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m3q_ang.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m3z_aco.sdf -rw-rw-r-- root/root 5695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m48_frg.sdf -rw-rw-r-- root/root 6875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m49_cmm.sdf -rw-rw-r-- root/root 4900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m51_tsx.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m52_p17.sdf -rw-rw-r-- root/root 2604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m5b_bn1.sdf -rw-rw-r-- root/root 1877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m5c_brh.sdf -rw-rw-r-- root/root 2312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m5e_am1.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m5w_dxp.sdf -rw-rw-r-- root/root 1288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m66_bcp.sdf -rw-rw-r-- root/root 1371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m67_boa.sdf -rw-rw-r-- root/root 3467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m6w_12h.sdf -rw-rw-r-- root/root 2069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m78_clz.sdf -rw-rw-r-- root/root 3239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m79_mq1.sdf -rw-rw-r-- root/root 3753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m7a_mqu.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m7p_g3h.sdf -rw-rw-r-- root/root 4895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m7q_dqo.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m7v_thg.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m7y_mrd.sdf -rw-rw-r-- root/root 4181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m7y_ppg.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m7z_thg.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m83_atp.sdf -rw-rw-r-- root/root 1455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m8d_clw.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m8d_h4b.sdf -rw-rw-r-- root/root 1660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m8e_7ni.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m8e_h4b.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m8f_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m8g_nad.sdf -rw-rw-r-- root/root 1659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m8h_6ni.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m8h_h4b.sdf -rw-rw-r-- root/root 1659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m8i_5ni.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m8i_h4b.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m8j_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m8k_nad.sdf -rw-rw-r-- root/root 3639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m99_gts.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m9a_gtx.sdf -rw-rw-r-- root/root 4536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m9b_ibg.sdf -rw-rw-r-- root/root 3391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m9n_amz.sdf -rw-rw-r-- root/root 3536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m9n_xmp.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m9t_h4b.sdf -rw-rw-r-- root/root 1669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1m9t_ine.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ma0_dao.sdf -rw-rw-r-- root/root 4936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1maa_dme.sdf -rw-rw-r-- root/root 3670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1map_ket.sdf -rw-rw-r-- root/root 3994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1maq_pgu.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mau_atp.sdf -rw-rw-r-- root/root 2579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mau_ltn.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mb9_atp.sdf -rw-rw-r-- root/root 7064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mbb_eeb.sdf -rw-rw-r-- root/root 5984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mbz_iot.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mc1_amp.sdf -rw-rw-r-- root/root 2902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mc1_pcx.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mc5_ahe.sdf -rw-rw-r-- root/root 4485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1md2_233.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1md9_amp.sdf -rw-rw-r-- root/root 1612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1md9_dbh.sdf -rw-rw-r-- root/root 1776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mdl_smn.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mdo_pmp.sdf -rw-rw-r-- root/root 2038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mdr_apg.sdf -rw-rw-r-- root/root 7167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1me6_ivs.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1me7_rvp.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1me8_rvp.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1meh_imp.sdf -rw-rw-r-- root/root 3536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mei_xmp.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1men_gar.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mep_btn.sdf -rw-rw-r-- root/root 6874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mer_dmq.sdf -rw-rw-r-- root/root 7230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mes_dmp.sdf -rw-rw-r-- root/root 7230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1met_dmp.sdf -rw-rw-r-- root/root 7230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1meu_dmp.sdf -rw-rw-r-- root/root 1811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mfi_fhc.sdf -rw-rw-r-- root/root 4583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mfp_idn.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mfp_nad.sdf -rw-rw-r-- root/root 1514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mg0_dfb.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mg0_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mgo_nad.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mi4_s3p.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mk5_btn.sdf -rw-rw-r-- root/root 2707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mkd_zar.sdf -rw-rw-r-- root/root 6713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mkv_gel.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mlw_hbi.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mlz_plp.sdf -rw-rw-r-- root/root 2717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mlz_tza.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mma_adp.sdf -rw-rw-r-- root/root 5662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mmb_bat.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mmd_adp.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mmg_ags.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mmk_h4b.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mmn_anp.sdf -rw-rw-r-- root/root 6009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mmp_rss.sdf -rw-rw-r-- root/root 6185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mmq_rrs.sdf -rw-rw-r-- root/root 6435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mmr_srs.sdf -rw-rw-r-- root/root 4440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mn7_abt.sdf -rw-rw-r-- root/root 4059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mn9_rtp.sdf -rw-rw-r-- root/root 4661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mnc_plh.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mnd_adp.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mnz_mrd.sdf -rw-rw-r-- root/root 1938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mo9_kpc.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mog_rbf.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mor_g6p.sdf -rw-rw-r-- root/root 2891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mos_agp.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1moy_mrd.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mpd_mal.sdf -rw-rw-r-- root/root 2359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mpw_tmh.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mq2_8og.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mq3_8og.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mq3_dcp.sdf -rw-rw-r-- root/root 5222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mq5_xlc.sdf -rw-rw-r-- root/root 5161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mq6_xld.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mqb_anp.sdf -rw-rw-r-- root/root 1873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mqd_shi.sdf -rw-rw-r-- root/root 2147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mqg_iwd.sdf -rw-rw-r-- root/root 2148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mqh_bwd.sdf -rw-rw-r-- root/root 2137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mqj_hwd.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mr9_aco.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mrg_adn.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mrh_fmc.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mrj_adn.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mrk_fmc.sdf -rw-rw-r-- root/root 7793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mrn_t5a.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mrq_str.sdf -rw-rw-r-- root/root 3402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mrs_5hu.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mru_ags.sdf -rw-rw-r-- root/root 5636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mtc_gpr.sdf -rw-rw-r-- root/root 5802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mts_bx3.sdf -rw-rw-r-- root/root 5542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mtw_dx9.sdf -rw-rw-r-- root/root 4974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mv9_hxa.sdf -rw-rw-r-- root/root 3421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mvn_pco.sdf -rw-rw-r-- root/root 4476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mvt_dtm.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mx0_anp.sdf -rw-rw-r-- root/root 2675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mx1_tha.sdf -rw-rw-r-- root/root 3726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mx5_htq.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mxb_adp.sdf -rw-rw-r-- root/root 3894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mxc_abp.sdf -rw-rw-r-- root/root 6479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mz9_vdy.sdf -rw-rw-r-- root/root 6145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mzc_bne.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mzc_fpp.sdf -rw-rw-r-- root/root 1503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mze_tar.sdf -rw-rw-r-- root/root 5003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mzn_bm6.sdf -rw-rw-r-- root/root 4675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1mzs_669.sdf -rw-rw-r-- root/root 3873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n0h_cie.sdf -rw-rw-r-- root/root 3614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n0t_at1.sdf -rw-rw-r-- root/root 6905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n0u_so1.sdf -rw-rw-r-- root/root 7886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n1e_nde.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n1h_ch1.sdf -rw-rw-r-- root/root 2703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n1m_a3m.sdf -rw-rw-r-- root/root 2951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n1z_btb.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n20_3ag.sdf -rw-rw-r-- root/root 2432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n22_7a8.sdf -rw-rw-r-- root/root 2442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n23_2bn.sdf -rw-rw-r-- root/root 3312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n24_bp2.sdf -rw-rw-r-- root/root 3639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n2a_gts.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n2b_apc.sdf -rw-rw-r-- root/root 1935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n2b_paf.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n2e_apc.sdf -rw-rw-r-- root/root 1935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n2e_paf.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n2g_apc.sdf -rw-rw-r-- root/root 5101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n2i_paj.sdf -rw-rw-r-- root/root 1935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n2j_paf.sdf -rw-rw-r-- root/root 1117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n2o_bal.sdf -rw-rw-r-- root/root 2490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n2v_bdi.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n38_u3h.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n3c_8og.sdf -rw-rw-r-- root/root 3483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n3i_dih.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n43_btn.sdf -rw-rw-r-- root/root 4379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n46_pfa.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n48_atp.sdf -rw-rw-r-- root/root 893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n4g_pyz.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n4h_rea.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n4k_i3p.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n4p_grg.sdf -rw-rw-r-- root/root 5859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n4q_mgm.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n4r_ger.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n4s_ger.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n4s_grg.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n55_pga.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n5i_tmp.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n5j_tyd.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n5l_tyd.sdf -rw-rw-r-- root/root 1427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n5m_gmn.sdf -rw-rw-r-- root/root 5887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n5r_prm.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n5u_myr.sdf -rw-rw-r-- root/root 528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n5x_mos.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n5x_mte.sdf -rw-rw-r-- root/root 3487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n5x_tei.sdf -rw-rw-r-- root/root 11667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n69_peh.sdf -rw-rw-r-- root/root 3679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n6b_dmz.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n6c_sam.sdf -rw-rw-r-- root/root 2226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n7i_ly1.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n7i_sah.sdf -rw-rw-r-- root/root 1952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n7j_idi.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n7j_sah.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n83_clr.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n8f_pep.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n8q_dhb.sdf -rw-rw-r-- root/root 6026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n95_fth.sdf -rw-rw-r-- root/root 4680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n95_hfp.sdf -rw-rw-r-- root/root 5320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n9a_fti.sdf -rw-rw-r-- root/root 4680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n9a_hfp.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n9m_btn.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1n9y_mrd.sdf -rw-rw-r-- root/root 2756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nas_ase.sdf -rw-rw-r-- root/root 1177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nas_oaa.sdf -rw-rw-r-- root/root 3581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nav_ih5.sdf -rw-rw-r-- root/root 3581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nax_ih5.sdf -rw-rw-r-- root/root 4060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nb6_utp.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nbe_mlt.sdf -rw-rw-r-- root/root 2150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nbu_ph2.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nbx_mrd.sdf -rw-rw-r-- root/root 3309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nc1_mth.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nc3_fmc.sdf -rw-rw-r-- root/root 3003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nc9_imi.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nce_cb3.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nce_ump.sdf -rw-rw-r-- root/root 7396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nco_chr.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nco_mrd.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ncr_w11.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nd2_myr.sdf -rw-rw-r-- root/root 3201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nd5_2bf.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ndc_tyd.sdf -rw-rw-r-- root/root 5626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nde_mon.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ndj_btn.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ndp_adp.sdf -rw-rw-r-- root/root 3712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ndv_fr0.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ndw_fr2.sdf -rw-rw-r-- root/root 3841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ndy_fr3.sdf -rw-rw-r-- root/root 6010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ndz_fr5.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ney_13p.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nf3_gnp.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nf7_rvp.sdf -rw-rw-r-- root/root 2409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nf8_isc.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nfq_aoi.sdf -rw-rw-r-- root/root 2034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nft_nta.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nfu_rrp.sdf -rw-rw-r-- root/root 4163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nfw_rrr.sdf -rw-rw-r-- root/root 4975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nfx_rdr.sdf -rw-rw-r-- root/root 4512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nfy_rtr.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nga_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ngb_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ngc_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ngd_adp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nge_atp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ngf_atp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ngg_atp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ngh_atp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ngi_anp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ngj_anp.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nh3_car.sdf -rw-rw-r-- root/root 2966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nh3_gng.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nht_gdp.sdf -rw-rw-r-- root/root 1232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nht_hda.sdf -rw-rw-r-- root/root 3900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nht_pgs.sdf -rw-rw-r-- root/root 4702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nhu_153.sdf -rw-rw-r-- root/root 5353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nhv_154.sdf -rw-rw-r-- root/root 5468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nhx_ftb.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nhx_pep.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ni1_2c5.sdf -rw-rw-r-- root/root 4680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ni1_hfp.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ni4_tpp.sdf -rw-rw-r-- root/root 1889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nis_ntc.sdf -rw-rw-r-- root/root 4394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nj1_5ca.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nj5_p5a.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nj6_a5a.sdf -rw-rw-r-- root/root 3131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nja_dcm.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1njb_ump.sdf -rw-rw-r-- root/root 3131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1njc_dcm.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1njd_ump.sdf -rw-rw-r-- root/root 3131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nje_dcm.sdf -rw-rw-r-- root/root 1906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1njr_xyl.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1njy_ttp.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nkh_pg4.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nkh_udp.sdf -rw-rw-r-- root/root 5322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nl4_ftl.sdf -rw-rw-r-- root/root 4680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nl4_hfp.sdf -rw-rw-r-- root/root 6342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nl9_989.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nli_ade.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nlv_atp.sdf -rw-rw-r-- root/root 6236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nm6_l86.sdf -rw-rw-r-- root/root 9733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nmk_sfm.sdf -rw-rw-r-- root/root 5373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nmq_160.sdf -rw-rw-r-- root/root 4759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nms_161.sdf -rw-rw-r-- root/root 7841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nmu_mtt.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nmx_adp.sdf -rw-rw-r-- root/root 3223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nmx_fdm.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nmy_adp.sdf -rw-rw-r-- root/root 3223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nmy_fdm.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nmz_anp.sdf -rw-rw-r-- root/root 3391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nmz_nym.sdf -rw-rw-r-- root/root 3214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nn3_2dt.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nn3_adp.sdf -rw-rw-r-- root/root 3214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nn5_2dt.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nn5_anp.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nnc_zmr.sdf -rw-rw-r-- root/root 3272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nnf_edt.sdf -rw-rw-r-- root/root 2861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nnk_ce2.sdf -rw-rw-r-- root/root 1552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1no3_4nc.sdf -rw-rw-r-- root/root 3535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1no6_794.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nod_h4b.sdf -rw-rw-r-- root/root 2544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1noo_cah.sdf -rw-rw-r-- root/root 2716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1now_ifg.sdf -rw-rw-r-- root/root 7358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1npv_l27.sdf -rw-rw-r-- root/root 2804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nq2_4hy.sdf -rw-rw-r-- root/root 5081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nq7_arl.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nqa_g3h.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nqm_btn.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nqo_g3h.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nqu_rdl.sdf -rw-rw-r-- root/root 3115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nqv_lmz.sdf -rw-rw-r-- root/root 4769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nqw_5yl.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nqx_rlp.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nr6_dif.sdf -rw-rw-r-- root/root 6663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nrl_srl.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nsa_ben.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nsd_dan.sdf -rw-rw-r-- root/root 13033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nsg_rad.sdf -rw-rw-r-- root/root 6146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nt1_t76.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nu2_i3p.sdf -rw-rw-r-- root/root 2804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nuo_4hy.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nup_nmn.sdf -rw-rw-r-- root/root 6531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nuq_nxx.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nus_apc.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nus_nmn.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nut_apc.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nuu_nad.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nuw_f6p.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nv2_f6p.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nvs_ucm.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nvv_gnp.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nvx_gtp.sdf -rw-rw-r-- root/root 3245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nwg_bgn.sdf -rw-rw-r-- root/root 5245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nwl_964.sdf -rw-rw-r-- root/root 757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nx8_n7p.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nxk_stu.sdf -rw-rw-r-- root/root 3327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nxy_sm2.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ny3_adp.sdf -rw-rw-r-- root/root 2594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nym_cxb.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nyq_tsb.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nyr_atp.sdf -rw-rw-r-- root/root 5108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nyx_drf.sdf -rw-rw-r-- root/root 7814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nz7_901.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nzw_nai.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1nzz_nai.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o02_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o04_nad.sdf -rw-rw-r-- root/root 6825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o07_mxg.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o08_g16.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o0b_amp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o0c_amp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o0f_a3p.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o0h_adp.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o0m_u2p.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o0n_u3p.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o0o_a2p.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o1r_grg.sdf -rw-rw-r-- root/root 5860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o1s_1nh.sdf -rw-rw-r-- root/root 9711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o1t_2nh.sdf -rw-rw-r-- root/root 5478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o23_upg.sdf -rw-rw-r-- root/root 4233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o2h_cr3.sdf -rw-rw-r-- root/root 4149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o2i_655.sdf -rw-rw-r-- root/root 4042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o2j_656.sdf -rw-rw-r-- root/root 3828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o2l_762.sdf -rw-rw-r-- root/root 4052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o2o_950.sdf -rw-rw-r-- root/root 4053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o2p_972.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o2q_991.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o2r_cr9.sdf -rw-rw-r-- root/root 4255 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o2t_783.sdf -rw-rw-r-- root/root 3854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o2u_847.sdf -rw-rw-r-- root/root 5105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o2z_312.sdf -rw-rw-r-- root/root 4762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o30_693.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o35_802.sdf -rw-rw-r-- root/root 4928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o36_607.sdf -rw-rw-r-- root/root 4605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o37_653.sdf -rw-rw-r-- root/root 3817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o39_780.sdf -rw-rw-r-- root/root 3901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o3e_696.sdf -rw-rw-r-- root/root 3264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o3h_907.sdf -rw-rw-r-- root/root 3180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o3j_334.sdf -rw-rw-r-- root/root 3471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o3l_678.sdf -rw-rw-r-- root/root 3295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o3m_785.sdf -rw-rw-r-- root/root 4149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o3p_655.sdf -rw-rw-r-- root/root 6792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o42_843.sdf -rw-rw-r-- root/root 7345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o44_852.sdf -rw-rw-r-- root/root 7616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o46_903.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o47_822.sdf -rw-rw-r-- root/root 7066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o48_853.sdf -rw-rw-r-- root/root 7334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o49_493.sdf -rw-rw-r-- root/root 7157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o4b_876.sdf -rw-rw-r-- root/root 2499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o4f_790.sdf -rw-rw-r-- root/root 2507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o4g_i59.sdf -rw-rw-r-- root/root 2269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o4h_772.sdf -rw-rw-r-- root/root 2486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o4j_is2.sdf -rw-rw-r-- root/root 1060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o4m_mla.sdf -rw-rw-r-- root/root 797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o4n_oxd.sdf -rw-rw-r-- root/root 1695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o4o_hps.sdf -rw-rw-r-- root/root 1966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o4p_791.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o4q_256.sdf -rw-rw-r-- root/root 2317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o4r_787.sdf -rw-rw-r-- root/root 3901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o5a_696.sdf -rw-rw-r-- root/root 1990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o5b_esi.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o5c_cr9.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o5d_cr9.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o5e_132.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o5f_cr9.sdf -rw-rw-r-- root/root 6095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o5m_336.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o5m_fpp.sdf -rw-rw-r-- root/root 5372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o5r_fr9.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o5x_2pg.sdf -rw-rw-r-- root/root 1129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o5x_3py.sdf -rw-rw-r-- root/root 1315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o6f_sin.sdf -rw-rw-r-- root/root 5243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o6h_w37.sdf -rw-rw-r-- root/root 3455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o6i_0hz.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o6k_anp.sdf -rw-rw-r-- root/root 184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o6k_mn.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o6l_anp.sdf -rw-rw-r-- root/root 4382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o6q_r17.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o6r_r19.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o6u_plm.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o6y_acp.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o72_pc.sdf -rw-rw-r-- root/root 5775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o79_r23.sdf -rw-rw-r-- root/root 2560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o7a_gdl.sdf -rw-rw-r-- root/root 1696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o7g_npy.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o7o_lat.sdf -rw-rw-r-- root/root 2050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o7p_ndh.sdf -rw-rw-r-- root/root 5381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o86_lpr.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o98_2pg.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o99_2pg.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o9s_sah.sdf -rw-rw-r-- root/root 1705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o9u_adz.sdf -rw-rw-r-- root/root 2986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1o9v_sng.sdf -rw-rw-r-- root/root 1177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oaa_oaa.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oad_mqd.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oad_mrd.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oaf_asc.sdf -rw-rw-r-- root/root 2826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oar_azn.sdf -rw-rw-r-- root/root 1916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oax_anq.sdf -rw-rw-r-- root/root 2028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oay_fur.sdf -rw-rw-r-- root/root 10439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ob2_kir.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ob2_suc.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1obt_amp.sdf -rw-rw-r-- root/root 3820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ocb_flg.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1od2_aco.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1od2_ade.sdf -rw-rw-r-- root/root 5372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1od7_suw.sdf -rw-rw-r-- root/root 5077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1od9_bnd.sdf -rw-rw-r-- root/root 5726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oda_bdu.sdf -rw-rw-r-- root/root 6314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1odc_a8b.sdf -rw-rw-r-- root/root 3974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1odm_asv.sdf -rw-rw-r-- root/root 3928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1odn_apv.sdf -rw-rw-r-- root/root 7482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1odw_0e8.sdf -rw-rw-r-- root/root 10382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ody_lp1.sdf -rw-rw-r-- root/root 5615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oec_aa2.sdf -rw-rw-r-- root/root 3123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1of1_sct.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1of8_pep.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ofo_pga.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ofs_suc.sdf -rw-rw-r-- root/root 6418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1og1_tad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1og3_nad.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1og4_nai.sdf -rw-rw-r-- root/root 3594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1og5_swf.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ogu_st8.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ogx_equ.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oh0_equ.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oh9_adp.sdf -rw-rw-r-- root/root 2197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oh9_nlg.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oha_adp.sdf -rw-rw-r-- root/root 2197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oha_nlg.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ohb_adp.sdf -rw-rw-r-- root/root 6303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ohk_cop.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oho_equ.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ohp_esr.sdf -rw-rw-r-- root/root 4414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ohs_5sd.sdf -rw-rw-r-- root/root 2094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oif_ifm.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oik_c26.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oim_noj.sdf -rw-rw-r-- root/root 7153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oip_viv.sdf -rw-rw-r-- root/root 5189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oir_hdy.sdf -rw-rw-r-- root/root 3723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oit_hdt.sdf -rw-rw-r-- root/root 4573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oiu_n76.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oiv_gdp.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oiw_gsp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oix_gdp.sdf -rw-rw-r-- root/root 4479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oiy_n41.sdf -rw-rw-r-- root/root 5416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oiz_trt.sdf -rw-rw-r-- root/root 1130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ojr_2ha.sdf -rw-rw-r-- root/root 8730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1okc_cxt.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oko_gla.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oky_stu.sdf -rw-rw-r-- root/root 5703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1okz_ucn.sdf -rw-rw-r-- root/root 7233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1olm_vtq.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1olx_tdp.sdf -rw-rw-r-- root/root 3180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1om1_iqa.sdf -rw-rw-r-- root/root 1931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1onp_fom.sdf -rw-rw-r-- root/root 11954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1onq_slf.sdf -rw-rw-r-- root/root 6587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ony_588.sdf -rw-rw-r-- root/root 3629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1onz_968.sdf -rw-rw-r-- root/root 3174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oo6_sn2.sdf -rw-rw-r-- root/root 3808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oon_bel.sdf -rw-rw-r-- root/root 3461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ooq_dtc.sdf -rw-rw-r-- root/root 4447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1opb_ret.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1opj_myr.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1opk_myr.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1opk_p16.sdf -rw-rw-r-- root/root 3299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1opm_iyg.sdf -rw-rw-r-- root/root 1443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1opr_oro.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1opr_prp.sdf -rw-rw-r-- root/root 6009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oqm_ud2.sdf -rw-rw-r-- root/root 6080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ork_atc.sdf -rw-rw-r-- root/root 5968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1os0_0pq.sdf -rw-rw-r-- root/root 6471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1os5_nh1.sdf -rw-rw-r-- root/root 6741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1osh_fex.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1osm_d12.sdf -rw-rw-r-- root/root 6586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1osv_chc.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ot3_thm.sdf -rw-rw-r-- root/root 6067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ot7_iu5.sdf -rw-rw-r-- root/root 2807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oth_pao.sdf -rw-rw-r-- root/root 2856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1otw_pqq.sdf -rw-rw-r-- root/root 1527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oty_6mp.sdf -rw-rw-r-- root/root 5265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ou6_168.sdf -rw-rw-r-- root/root 3310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oum_tal.sdf -rw-rw-r-- root/root 4811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ouy_094.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ov4_aox.sdf -rw-rw-r-- root/root 3310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ov6_dbm.sdf -rw-rw-r-- root/root 5052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ove_358.sdf -rw-rw-r-- root/root 2957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ovg_mdr.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ow3_gdp.sdf -rw-rw-r-- root/root 463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ow3_mgf.sdf -rw-rw-r-- root/root 4744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1owd_497.sdf -rw-rw-r-- root/root 3857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1owh_239.sdf -rw-rw-r-- root/root 4660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1owi_426.sdf -rw-rw-r-- root/root 4837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1owj_155.sdf -rw-rw-r-- root/root 5003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1owk_303.sdf -rw-rw-r-- root/root 3459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oxl_ida.sdf -rw-rw-r-- root/root 3295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oxp_ik2.sdf -rw-rw-r-- root/root 1959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oxr_ain.sdf -rw-rw-r-- root/root 1424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oyb_hba.sdf -rw-rw-r-- root/root 2405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oyf_mhn.sdf -rw-rw-r-- root/root 1703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oyo_3id.sdf -rw-rw-r-- root/root 8288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1oz0_ms1.sdf -rw-rw-r-- root/root 4651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ozg_he3.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ozq_prf.sdf -rw-rw-r-- root/root 1725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p0b_pq0.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p0e_prf.sdf -rw-rw-r-- root/root 1295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p0i_bua.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p0m_cht.sdf -rw-rw-r-- root/root 2879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p0p_bch.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p1r_nai.sdf -rw-rw-r-- root/root 2411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p1r_nmh.sdf -rw-rw-r-- root/root 2379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p2y_nct.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p39_mgt.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p42_myr.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p43_2pg.sdf -rw-rw-r-- root/root 4880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p44_geq.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p44_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p45_nad.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p45_tcl.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p48_pep.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p4a_pcp.sdf -rw-rw-r-- root/root 2425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p4f_drg.sdf -rw-rw-r-- root/root 5195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p4r_354.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p52_adp.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p57_cr4.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p5z_ar3.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p60_dcz.sdf -rw-rw-r-- root/root 2694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p62_geo.sdf -rw-rw-r-- root/root 2508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p6c_dii.sdf -rw-rw-r-- root/root 3973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p6l_dp1.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p6l_h4b.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p6m_dp3.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p6m_h4b.sdf -rw-rw-r-- root/root 4082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p6n_dp9.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p6n_h4b.sdf -rw-rw-r-- root/root 7793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p7c_t5a.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p7l_anp.sdf -rw-rw-r-- root/root 1790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p7l_ppk.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p7l_sam.sdf -rw-rw-r-- root/root 6507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p8d_co1.sdf -rw-rw-r-- root/root 2376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p8r_s2c.sdf -rw-rw-r-- root/root 5149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p93_dex.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1p9l_pdc.sdf -rw-rw-r-- root/root 1922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pa9_csn.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pag_fmp.sdf -rw-rw-r-- root/root 2129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pax_dhq.sdf -rw-rw-r-- root/root 1693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pbc_bha.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pbe_phb.sdf -rw-rw-r-- root/root 1693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pbf_bha.sdf -rw-rw-r-- root/root 2798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pbo_ses.sdf -rw-rw-r-- root/root 1847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pck_pez.sdf -rw-rw-r-- root/root 3618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pcw_h4p.sdf -rw-rw-r-- root/root 4736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pd9_co4.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pe1_2pg.sdf -rw-rw-r-- root/root 2788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pge_isf.sdf -rw-rw-r-- root/root 7008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pgn_nbp.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pgo_ndp.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pgp_6pg.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pgt_gtx.sdf -rw-rw-r-- root/root 6990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ph0_418.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pha_pfz.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1phd_piw.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1phe_piy.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1phf_pim.sdf -rw-rw-r-- root/root 2850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1phg_myt.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1phh_dhb.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1phk_atp.sdf -rw-rw-r-- root/root 2217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1phw_n.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pj6_fol.sdf -rw-rw-r-- root/root 5195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pj7_ffo.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pjk_anp.sdf -rw-rw-r-- root/root 3693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pk0_ema.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pk7_adn.sdf -rw-rw-r-- root/root 2976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pk9_2fa.sdf -rw-rw-r-- root/root 2882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pke_2fd.sdf -rw-rw-r-- root/root 6688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pkf_epd.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pkg_adp.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pkw_gsh.sdf -rw-rw-r-- root/root 3526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pl0_bw2.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pl1_aby.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pl2_aby.sdf -rw-rw-r-- root/root 3549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pl6_572.sdf -rw-rw-r-- root/root 1595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pl9_fpe.sdf -rw-rw-r-- root/root 6087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1plj_cag.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1plk_gtp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pll_gdp.sdf -rw-rw-r-- root/root 3988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pme_sb2.sdf -rw-rw-r-- root/root 5725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pmn_984.sdf -rw-rw-r-- root/root 3089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pmu_9hp.sdf -rw-rw-r-- root/root 2381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pmv_537.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pn3_tyd.sdf -rw-rw-r-- root/root 1687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pnl_pac.sdf -rw-rw-r-- root/root 6713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1poe_gel.sdf -rw-rw-r-- root/root 3410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1poj_ae1.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pox_tpp.sdf -rw-rw-r-- root/root 7170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ppk_ivv.sdf -rw-rw-r-- root/root 8167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ppl_1z7.sdf -rw-rw-r-- root/root 7338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ppm_0p1.sdf -rw-rw-r-- root/root 8583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ppr_pid.sdf -rw-rw-r-- root/root 2376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pq3_s2c.sdf -rw-rw-r-- root/root 6553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pq6_965.sdf -rw-rw-r-- root/root 2819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pq9_44b.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pq9_bns.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pqc_444.sdf -rw-rw-r-- root/root 2884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pr0_nos.sdf -rw-rw-r-- root/root 2957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pr2_mdr.sdf -rw-rw-r-- root/root 3144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pr4_mtp.sdf -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pr5_tbn.sdf -rw-rw-r-- root/root 2968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pr6_xya.sdf -rw-rw-r-- root/root 7240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pro_a88.sdf -rw-rw-r-- root/root 2582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ps3_kif.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ps3_mrd.sdf -rw-rw-r-- root/root 2115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ps6_4tp.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ptg_ins.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pth_sal.sdf -rw-rw-r-- root/root 5327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ptr_prb.sdf -rw-rw-r-- root/root 8891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pub_3ph.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pvd_tpp.sdf -rw-rw-r-- root/root 860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pvf_dpo.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pvg_anp.sdf -rw-rw-r-- root/root 1824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pvn_mzp.sdf -rw-rw-r-- root/root 1361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pvs_7hp.sdf -rw-rw-r-- root/root 4925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pw1_hel.sdf -rw-rw-r-- root/root 6241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pw6_frb.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pw7_rab.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pwb_glc.sdf -rw-rw-r-- root/root 3806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pwh_plv.sdf -rw-rw-r-- root/root 3663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pwl_bfi.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pwp_nsc.sdf -rw-rw-r-- root/root 5056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pwu_gm6.sdf -rw-rw-r-- root/root 2505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pwy_ac2.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1px6_gsh.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pxb_phb.sdf -rw-rw-r-- root/root 5139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pxd_sfp.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pxg_prf.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pxx_dif.sdf -rw-rw-r-- root/root 7419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1py2_frh.sdf -rw-rw-r-- root/root 3089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1py5_py1.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pyd_tdp.sdf -rw-rw-r-- root/root 3830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pye_pm1.sdf -rw-rw-r-- root/root 657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pym_oxl.sdf -rw-rw-r-- root/root 7109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pyn_941.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pyx_anp.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pzi_1dm.sdf -rw-rw-r-- root/root 6672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pzj_15b.sdf -rw-rw-r-- root/root 6672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pzj_j15.sdf -rw-rw-r-- root/root 3469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pzk_j12.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pzo_cbt.sdf -rw-rw-r-- root/root 3345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1pzp_fta.sdf -rw-rw-r-- root/root 1931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q0h_fom.sdf -rw-rw-r-- root/root 1931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q0l_fom.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q0n_apc.sdf -rw-rw-r-- root/root 2150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q0n_ph2.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q0q_dxp.sdf -rw-rw-r-- root/root 6341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q0r_akt.sdf -rw-rw-r-- root/root 9458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q0z_aka.sdf -rw-rw-r-- root/root 2283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q11_tye.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q13_tes.sdf -rw-rw-r-- root/root 6700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q16_md1.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q19_apc.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q1m_234.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q1y_bb2.sdf -rw-rw-r-- root/root 4933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q20_plo.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q22_and.sdf -rw-rw-r-- root/root 7572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q23_fua.sdf -rw-rw-r-- root/root 3358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q2q_wy2.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q2r_9dg.sdf -rw-rw-r-- root/root 3838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q36_skp.sdf -rw-rw-r-- root/root 3703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q3a_ngh.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q3d_stu.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q3f_ura.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q3n_pep.sdf -rw-rw-r-- root/root 3123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q3w_atu.sdf -rw-rw-r-- root/root 3005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q41_ixm.sdf -rw-rw-r-- root/root 2848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q4g_bfl.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q4j_gtx.sdf -rw-rw-r-- root/root 3284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q4l_679.sdf -rw-rw-r-- root/root 1234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q4v_iph.sdf -rw-rw-r-- root/root 1972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q4w_dqu.sdf -rw-rw-r-- root/root 4736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q4x_g24.sdf -rw-rw-r-- root/root 2646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q54_bhi.sdf -rw-rw-r-- root/root 6795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q5d_epb.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q5h_dud.sdf -rw-rw-r-- root/root 3086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q5k_tmu.sdf -rw-rw-r-- root/root 2971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q63_aiq.sdf -rw-rw-r-- root/root 3542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q65_bhb.sdf -rw-rw-r-- root/root 3493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q66_kmb.sdf -rw-rw-r-- root/root 6348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q6j_335.sdf -rw-rw-r-- root/root 3575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q6k_tco.sdf -rw-rw-r-- root/root 2370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q6l_tx4.sdf -rw-rw-r-- root/root 6370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q6m_p27.sdf -rw-rw-r-- root/root 6173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q6n_p90.sdf -rw-rw-r-- root/root 6970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q6p_213.sdf -rw-rw-r-- root/root 2454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q6q_lxp.sdf -rw-rw-r-- root/root 2361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q6r_lx1.sdf -rw-rw-r-- root/root 7702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q6s_214.sdf -rw-rw-r-- root/root 4016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q7a_opb.sdf -rw-rw-r-- root/root 8134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q7g_nho.sdf -rw-rw-r-- root/root 8614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q83_tz5.sdf -rw-rw-r-- root/root 8613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q84_tz4.sdf -rw-rw-r-- root/root 3910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q8u_h52.sdf -rw-rw-r-- root/root 3394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q8w_m77.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q8y_ade.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q8y_adp.sdf -rw-rw-r-- root/root 4319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q91_dpb.sdf -rw-rw-r-- root/root 3121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q92_drm.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q97_adn.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q97_atp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q99_anp.sdf -rw-rw-r-- root/root 6812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q9d_oi1.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q9m_rol.sdf -rw-rw-r-- root/root 3423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1q9x_dgp.sdf -rw-rw-r-- root/root 8841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qax_hmg.sdf -rw-rw-r-- root/root 1935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qay_mev.sdf -rw-rw-r-- root/root 6241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qb1_974.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qb6_623.sdf -rw-rw-r-- root/root 6189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qb9_806.sdf -rw-rw-r-- root/root 4533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qbn_688.sdf -rw-rw-r-- root/root 5912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qbo_711.sdf -rw-rw-r-- root/root 4680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qbq_hfp.sdf -rw-rw-r-- root/root 8382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qbr_xv6.sdf -rw-rw-r-- root/root 7230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qbs_dmp.sdf -rw-rw-r-- root/root 9654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qbt_146.sdf -rw-rw-r-- root/root 7169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qbu_846.sdf -rw-rw-r-- root/root 7572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qca_fua.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qcf_pp1.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qci_ade.sdf -rw-rw-r-- root/root 1222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qco_aae.sdf -rw-rw-r-- root/root 1149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qco_fum.sdf -rw-rw-r-- root/root 5156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qcw_fns.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qd2_ade.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qdr_bcn.sdf -rw-rw-r-- root/root 5716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qf0_ti2.sdf -rw-rw-r-- root/root 4845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qf1_ti1.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qf2_ti3.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qf4_gdp.sdf -rw-rw-r-- root/root 4737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qf4_rpd.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qf5_gdp.sdf -rw-rw-r-- root/root 4737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qf5_rpl.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qf6_amp.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qfl_coa.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qg4_gdp.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qgd_tpp.sdf -rw-rw-r-- root/root 7837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qgl_ejt.sdf -rw-rw-r-- root/root 4893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qh5_gbp.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qh5_gsh.sdf -rw-rw-r-- root/root 7067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qhc_pua.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qhf_3pg.sdf -rw-rw-r-- root/root 3578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qhi_bpg.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qhs_clm.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qhy_clm.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qi0_cbi.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qi1_g3h.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qi1_g3p.sdf -rw-rw-r-- root/root 4892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qin_gip.sdf -rw-rw-r-- root/root 5188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qip_gnb.sdf -rw-rw-r-- root/root 4330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qiq_acc.sdf -rw-rw-r-- root/root 1234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qiy_iph.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qiz_rco.sdf -rw-rw-r-- root/root 4051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qjc_pns.sdf -rw-rw-r-- root/root 4094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qje_ip1.sdf -rw-rw-r-- root/root 4173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qjf_acs.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qjg_equ.sdf -rw-rw-r-- root/root 4107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qju_w01.sdf -rw-rw-r-- root/root 4107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qjx_w02.sdf -rw-rw-r-- root/root 4190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qjy_w03.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qk3_5gp.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qk4_imp.sdf -rw-rw-r-- root/root 3536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qk5_xmp.sdf -rw-rw-r-- root/root 2810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qkm_gen.sdf -rw-rw-r-- root/root 5565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qkn_ral.sdf -rw-rw-r-- root/root 5565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ql7_zen.sdf -rw-rw-r-- root/root 5565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ql9_zen.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qlh_nad.sdf -rw-rw-r-- root/root 3641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qll_tda.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qlt_fad.sdf -rw-rw-r-- root/root 1939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qlu_eug.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qlu_fad.sdf -rw-rw-r-- root/root 10515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qmq_lrb.sdf -rw-rw-r-- root/root 3852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qon_i40.sdf -rw-rw-r-- root/root 2848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qop_ipl.sdf -rw-rw-r-- root/root 1046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qpb_pym.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qpb_tpp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qpc_anp.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qpd_stu.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qpe_pp2.sdf -rw-rw-r-- root/root 12905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qpf_858.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qpj_stu.sdf -rw-rw-r-- root/root 12739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qpl_587.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qpn_ncn.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qpq_ntm.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qpr_pht.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qpr_ppc.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qqm_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qqn_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qqo_adp.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qqs_dka.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qra_gtp.sdf -rw-rw-r-- root/root 2202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qrd_dqn.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qs0_tdp.sdf -rw-rw-r-- root/root 2641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qs4_100.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qss_dg3.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qsy_dds.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qtm_ttp.sdf -rw-rw-r-- root/root 4924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qtq_qsi.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qv0_czh.sdf -rw-rw-r-- root/root 1514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qv6_24b.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qv6_nad.sdf -rw-rw-r-- root/root 1514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qv7_dfb.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qv7_nad.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qvi_adp.sdf -rw-rw-r-- root/root 8022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qvn_fri.sdf -rw-rw-r-- root/root 2520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qvt_prl.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qvu_et.sdf -rw-rw-r-- root/root 2520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qvu_prl.sdf -rw-rw-r-- root/root 3230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qw4_3ar.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qw4_h4b.sdf -rw-rw-r-- root/root 2107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qw5_14w.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qw5_h4b.sdf -rw-rw-r-- root/root 3370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qw8_kho.sdf -rw-rw-r-- root/root 2991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qw9_khp.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qx1_fmf.sdf -rw-rw-r-- root/root 6049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qxk_429.sdf -rw-rw-r-- root/root 5975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qxl_fr8.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qxs_nad.sdf -rw-rw-r-- root/root 2304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qxs_s70.sdf -rw-rw-r-- root/root 3220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qxw_m1c.sdf -rw-rw-r-- root/root 2815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qxy_m2c.sdf -rw-rw-r-- root/root 2556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qxz_m3c.sdf -rw-rw-r-- root/root 2107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qy2_ipz.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qy4_6pg.sdf -rw-rw-r-- root/root 2115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qy5_nec.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qy8_rdi.sdf -rw-rw-r-- root/root 2789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qye_cdy.sdf -rw-rw-r-- root/root 4414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qyw_5sd.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qyw_nap.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qyx_asd.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qyx_nap.sdf -rw-rw-r-- root/root 12625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qz5_kab.sdf -rw-rw-r-- root/root 11149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qz6_jas.sdf -rw-rw-r-- root/root 3213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qzr_cdx.sdf -rw-rw-r-- root/root 5270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qzy_tde.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1qzz_sam.sdf -rw-rw-r-- root/root 1856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r0c_ncd.sdf -rw-rw-r-- root/root 4605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r0e_dfn.sdf -rw-rw-r-- root/root 5191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r0p_ksa.sdf -rw-rw-r-- root/root 5058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r1h_bir.sdf -rw-rw-r-- root/root 4845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r1i_ti1.sdf -rw-rw-r-- root/root 4715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r1j_oir.sdf -rw-rw-r-- root/root 6868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r1k_p1a.sdf -rw-rw-r-- root/root 2292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r1o_sdc.sdf -rw-rw-r-- root/root 5154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r20_hwg.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r31_coa.sdf -rw-rw-r-- root/root 1935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r31_mev.sdf -rw-rw-r-- root/root 2282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r33_lka.sdf -rw-rw-r-- root/root 3718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r34_lks.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r35_h4b.sdf -rw-rw-r-- root/root 2700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r35_i58.sdf -rw-rw-r-- root/root 7138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r3j_dga.sdf -rw-rw-r-- root/root 8293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r3q_1cp.sdf -rw-rw-r-- root/root 8293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r3s_1cp.sdf -rw-rw-r-- root/root 8293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r3t_cp3.sdf -rw-rw-r-- root/root 8293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r3v_1cp.sdf -rw-rw-r-- root/root 8293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r3w_cp3.sdf -rw-rw-r-- root/root 8293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r3y_cp3.sdf -rw-rw-r-- root/root 4633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r4l_xx5.sdf -rw-rw-r-- root/root 1526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r4u_oxc.sdf -rw-rw-r-- root/root 4625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r55_097.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r58_ao5.sdf -rw-rw-r-- root/root 4504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r5g_ao1.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r5h_ao2.sdf -rw-rw-r-- root/root 4465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r5k_gw5.sdf -rw-rw-r-- root/root 7153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r5l_viv.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r6a_rvp.sdf -rw-rw-r-- root/root 4921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r6g_442.sdf -rw-rw-r-- root/root 5576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r6n_434.sdf -rw-rw-r-- root/root 5589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r6u_tym.sdf -rw-rw-r-- root/root 2665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r6w_164.sdf -rw-rw-r-- root/root 4395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r78_fmd.sdf -rw-rw-r-- root/root 6009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r81_ud2.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r82_gdu.sdf -rw-rw-r-- root/root 4151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r8e_p4p.sdf -rw-rw-r-- root/root 2855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1r9o_flp.sdf -rw-rw-r-- root/root 1338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ra0_fpy.sdf -rw-rw-r-- root/root 1338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ra5_fpy.sdf -rw-rw-r-- root/root 1338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rak_fpy.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rao_amp.sdf -rw-rw-r-- root/root 2900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rao_hh2.sdf -rw-rw-r-- root/root 2900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rb0_hh2.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rbl_cap.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rbo_cap.sdf -rw-rw-r-- root/root 6133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rbq_keu.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rby_gar.sdf -rw-rw-r-- root/root 6133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rby_keu.sdf -rw-rw-r-- root/root 5891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rbz_kt5.sdf -rw-rw-r-- root/root 5891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rc1_kt3.sdf -rw-rw-r-- root/root 956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rca_cgp.sdf -rw-rw-r-- root/root 7042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rcj_ma4.sdf -rw-rw-r-- root/root 3010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rco_xdp.sdf -rw-rw-r-- root/root 2884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rct_nos.sdf -rw-rw-r-- root/root 3708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rcv_bv1.sdf -rw-rw-r-- root/root 2749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rcx_rub.sdf -rw-rw-r-- root/root 5489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rd4_l08.sdf -rw-rw-r-- root/root 3709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rd9_bv2.sdf -rw-rw-r-- root/root 3709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rdp_bv3.sdf -rw-rw-r-- root/root 6471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rdt_570.sdf -rw-rw-r-- root/root 5233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rdt_l79.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rdz_amp.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rdz_f6p.sdf -rw-rw-r-- root/root 5560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1re8_bd2.sdf -rw-rw-r-- root/root 4463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rej_b1l.sdf -rw-rw-r-- root/root 6954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rek_b8l.sdf -rw-rw-r-- root/root 3736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rev_tb9.sdf -rw-rw-r-- root/root 3709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rf2_bv4.sdf -rw-rw-r-- root/root 3851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rf4_spq.sdf -rw-rw-r-- root/root 1768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rf6_gpj.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rf6_s3p.sdf -rw-rw-r-- root/root 4840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rf7_dhf.sdf -rw-rw-r-- root/root 6396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rf9_dbr.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rfg_gmp.sdf -rw-rw-r-- root/root 1864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rfn_pbz.sdf -rw-rw-r-- root/root 2201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rft_pxm.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rfu_plp.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rg1_ots.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rg7_mtx.sdf -rw-rw-r-- root/root 4847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rgb_eld.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rgt_ots.sdf -rw-rw-r-- root/root 7601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rhj_pzn.sdf -rw-rw-r-- root/root 3594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rhm_na4.sdf -rw-rw-r-- root/root 6199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rhq_0zz.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rj6_azm.sdf -rw-rw-r-- root/root 6572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rjk_vdz.sdf -rw-rw-r-- root/root 6572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rk3_vdx.sdf -rw-rw-r-- root/root 5439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rkg_vd1.sdf -rw-rw-r-- root/root 6738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rkh_vd2.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rkp_ibm.sdf -rw-rw-r-- root/root 4428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rkw_pnt.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rl9_adp.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rlb_rea.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rlc_cap.sdf -rw-rw-r-- root/root 2716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rm0_d6p.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rmy_dcz.sdf -rw-rw-r-- root/root 3703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rmz_ngh.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rnc_5gp.sdf -rw-rw-r-- root/root 10123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rne_c60.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ro6_rol.sdf -rw-rw-r-- root/root 3435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ro9_8br.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ror_amp.sdf -rw-rw-r-- root/root 5472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ros_deo.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rp7_tzd.sdf -rw-rw-r-- root/root 3225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rpf_c3p.sdf -rw-rw-r-- root/root 5689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rpg_cpa.sdf -rw-rw-r-- root/root 4689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rpw_did.sdf -rw-rw-r-- root/root 3017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rqd_gc7.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rqi_dst.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rqi_ipr.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rqj_ipe.sdf -rw-rw-r-- root/root 2588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rqj_ris.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rqp_sam.sdf -rw-rw-r-- root/root 4965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rqq_112.sdf -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rqr_5fd.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rr8_ttc.sdf -rw-rw-r-- root/root 5199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rr8_ttg.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rrj_ttc.sdf -rw-rw-r-- root/root 5199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rrj_ttg.sdf -rw-rw-r-- root/root 1800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rrw_9mg.sdf -rw-rw-r-- root/root 2047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rry_204.sdf -rw-rw-r-- root/root 2154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rs2_209.sdf -rw-rw-r-- root/root 3922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rs4_45p.sdf -rw-rw-r-- root/root 4634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rs8_dp2.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rs8_h4b.sdf -rw-rw-r-- root/root 4587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rs9_d7p.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rs9_h4b.sdf -rw-rw-r-- root/root 2749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rsc_xbp.sdf -rw-rw-r-- root/root 5257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rsd_psb.sdf -rw-rw-r-- root/root 2166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rsi_977.sdf -rw-rw-r-- root/root 3483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rsz_dih.sdf -rw-rw-r-- root/root 3983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rt1_mkc.sdf -rw-rw-r-- root/root 4632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rt2_tnk.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rt5_uc2.sdf -rw-rw-r-- root/root 3438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rt6_uc3.sdf -rw-rw-r-- root/root 3731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rt7_uc4.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rt9_imh.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rtf_ben.sdf -rw-rw-r-- root/root 3389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rti_hef.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ru2_apc.sdf -rw-rw-r-- root/root 1985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ru2_hhr.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rus_3pg.sdf -rw-rw-r-- root/root 6811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rv1_imz.sdf -rw-rw-r-- root/root 3513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rw8_580.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rwq_5ap.sdf -rw-rw-r-- root/root 5172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rx5_ddf.sdf -rw-rw-r-- root/root 2313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rxc_r1p.sdf -rw-rw-r-- root/root 1173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rxc_urf.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rxh_bni.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rxj_bni.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rxk_bni.sdf -rw-rw-r-- root/root 2749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rxo_rub.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rxu_thm.sdf -rw-rw-r-- root/root 5079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ry0_pg2.sdf -rw-rw-r-- root/root 6653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ry8_rut.sdf -rw-rw-r-- root/root 6638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ryw_epu.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rzm_pep.sdf -rw-rw-r-- root/root 3944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1rzy_5as.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s07_plp.sdf -rw-rw-r-- root/root 3618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s0m_bap.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s0m_dtp.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s0n_dcp.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s0o_ttp.sdf -rw-rw-r-- root/root 6943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s0x_c3s.sdf -rw-rw-r-- root/root 7020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s0z_eb1.sdf -rw-rw-r-- root/root 6741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s13_2fh.sdf -rw-rw-r-- root/root 7227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s14_nov.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s16_anp.sdf -rw-rw-r-- root/root 2433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s17_gnr.sdf -rw-rw-r-- root/root 6253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s19_mc9.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s1c_gnp.sdf -rw-rw-r-- root/root 1060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s1f_mla.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s1f_pim.sdf -rw-rw-r-- root/root 3136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s1j_iqz.sdf -rw-rw-r-- root/root 5155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s1s_wac.sdf -rw-rw-r-- root/root 9037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s22_ula.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s26_apc.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s2a_imn.sdf -rw-rw-r-- root/root 2795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s2c_flf.sdf -rw-rw-r-- root/root 4774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s36_cei.sdf -rw-rw-r-- root/root 2055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s38_maq.sdf -rw-rw-r-- root/root 1799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s39_aqo.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s3s_adp.sdf -rw-rw-r-- root/root 5056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s3v_tqd.sdf -rw-rw-r-- root/root 4932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s3w_tqt.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s3x_adp.sdf -rw-rw-r-- root/root 4932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s3y_tqt.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s5g_adp.sdf -rw-rw-r-- root/root 7138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s5h_dga.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s5m_glc.sdf -rw-rw-r-- root/root 1906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s5n_xyl.sdf -rw-rw-r-- root/root 2448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s5o_152.sdf -rw-rw-r-- root/root 3871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s5z_son.sdf -rw-rw-r-- root/root 4505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s63_778.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s63_fpp.sdf -rw-rw-r-- root/root 4505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s64_778.sdf -rw-rw-r-- root/root 1943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s6h_4bz.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s6p_iet.sdf -rw-rw-r-- root/root 4025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s6q_tpb.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s7g_1pe.sdf -rw-rw-r-- root/root 5850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s7g_2pe.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s7g_nad.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s7g_p6g.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s7g_pg4.sdf -rw-rw-r-- root/root 1643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s83_4ha.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s89_pga.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s8a_pga.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s8c_bla.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s97_dct.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s9a_bez.sdf -rw-rw-r-- root/root 3962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s9d_afb.sdf -rw-rw-r-- root/root 3277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s9e_adb.sdf -rw-rw-r-- root/root 3497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s9f_ddy.sdf -rw-rw-r-- root/root 3809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s9g_abz.sdf -rw-rw-r-- root/root 4606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s9i_5ea.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s9j_atp.sdf -rw-rw-r-- root/root 3696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s9j_bbm.sdf -rw-rw-r-- root/root 3629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s9p_des.sdf -rw-rw-r-- root/root 1889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1s9t_qus.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sa4_fpp.sdf -rw-rw-r-- root/root 5146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sa4_jan.sdf -rw-rw-r-- root/root 5243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sa5_bmv.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sa5_fpp.sdf -rw-rw-r-- root/root 3212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sbr_vib.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sc3_mli.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sc7_m38.sdf -rw-rw-r-- root/root 5069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sc8_2in.sdf -rw-rw-r-- root/root 1213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sc9_cnh.sdf -rw-rw-r-- root/root 1213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1scq_cnh.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sd1_fmc.sdf -rw-rw-r-- root/root 3309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sd2_mth.sdf -rw-rw-r-- root/root 1948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sd3_sym.sdf -rw-rw-r-- root/root 2598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sep_bio.sdf -rw-rw-r-- root/root 4575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ses_ahx.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ses_amp.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1set_ssa.sdf -rw-rw-r-- root/root 5469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1seu_sa3.sdf -rw-rw-r-- root/root 3295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sff_ik2.sdf -rw-rw-r-- root/root 7042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1shv_ma4.sdf -rw-rw-r-- root/root 7816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1siv_psi.sdf -rw-rw-r-- root/root 5638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sj0_e4d.sdf -rw-rw-r-- root/root 1794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sk6_cmp.sdf -rw-rw-r-- root/root 6908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1skj_ur2.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1skr_dad.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sku_mli.sdf -rw-rw-r-- root/root 10477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1skx_rfp.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sl2_dad.sdf -rw-rw-r-- root/root 5030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sl3_170.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sli_dan.sdf -rw-rw-r-- root/root 6303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sln_inh.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sm2_stu.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1smj_pam.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1snn_5rp.sdf -rw-rw-r-- root/root 2370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1so3_tx4.sdf -rw-rw-r-- root/root 2370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1so4_tx4.sdf -rw-rw-r-- root/root 2370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1so5_tx4.sdf -rw-rw-r-- root/root 2370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1so6_tx4.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1son_amp.sdf -rw-rw-r-- root/root 2790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1soo_h5p.sdf -rw-rw-r-- root/root 7336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sp4_ep2.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sq5_adp.sdf -rw-rw-r-- root/root 2880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sq5_pau.sdf -rw-rw-r-- root/root 4774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sqa_ui1.sdf -rw-rw-r-- root/root 4165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sqc_lda.sdf -rw-rw-r-- root/root 3066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sqo_ui2.sdf -rw-rw-r-- root/root 3690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sqt_ui3.sdf -rw-rw-r-- root/root 5911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sr7_mof.sdf -rw-rw-r-- root/root 2610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sre_hab.sdf -rw-rw-r-- root/root 3650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1srf_mtb.sdf -rw-rw-r-- root/root 2870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1srg_mhb.sdf -rw-rw-r-- root/root 3130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sri_dmb.sdf -rw-rw-r-- root/root 3165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1srj_nab.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ssp_ura.sdf -rw-rw-r-- root/root 7545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1st0_gtg.sdf -rw-rw-r-- root/root 7439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1st4_gta.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sto_omp.sdf -rw-rw-r-- root/root 1798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1suo_cpz.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1suq_185.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sv2_dtt.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sv3_ann.sdf -rw-rw-r-- root/root 3981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sv5_65b.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sv9_dif.sdf -rw-rw-r-- root/root 5761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sve_i01.sdf -rw-rw-r-- root/root 5844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1svg_i04.sdf -rw-rw-r-- root/root 5833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1svh_i08.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1svk_gdp.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1svs_gnp.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sw7_pga.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1swd_btn.sdf -rw-rw-r-- root/root 2213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sxg_171.sdf -rw-rw-r-- root/root 2760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1syh_cpw.sdf -rw-rw-r-- root/root 1615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sze_173.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1sze_fmn.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1szf_fmn.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1szf_pyr.sdf -rw-rw-r-- root/root 5156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1szg_fns.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1szk_pmp.sdf -rw-rw-r-- root/root 5402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1szm_bi4.sdf -rw-rw-r-- root/root 2791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1szo_cax.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1szz_bb2.sdf -rw-rw-r-- root/root 6063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t02_lva.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t13_ini.sdf -rw-rw-r-- root/root 2969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t1r_imb.sdf -rw-rw-r-- root/root 2416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t1s_cbq.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t24_nad.sdf -rw-rw-r-- root/root 1089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t24_oxq.sdf -rw-rw-r-- root/root 1176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t25_gag.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t25_nai.sdf -rw-rw-r-- root/root 1091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t26_gbd.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t26_nai.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t2c_nai.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t2d_nad.sdf -rw-rw-r-- root/root 657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t2d_oxl.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t2e_nai.sdf -rw-rw-r-- root/root 880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t2e_oxm.sdf -rw-rw-r-- root/root 7657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t31_ohh.sdf -rw-rw-r-- root/root 7657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t32_ohh.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t3n_ttp.sdf -rw-rw-r-- root/root 3566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t41_id5.sdf -rw-rw-r-- root/root 6180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t46_sti.sdf -rw-rw-r-- root/root 4362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t4e_diz.sdf -rw-rw-r-- root/root 2391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t4p_2bh.sdf -rw-rw-r-- root/root 2017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t4r_ahi.sdf -rw-rw-r-- root/root 1928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t4t_dir.sdf -rw-rw-r-- root/root 1311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t56_dio.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t5f_dhh.sdf -rw-rw-r-- root/root 3966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t64_tsn.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t67_b3n.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t69_shh.sdf -rw-rw-r-- root/root 6651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t7k_bh0.sdf -rw-rw-r-- root/root 2448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t7o_152.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t7p_dg3.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t8e_dct.sdf -rw-rw-r-- root/root 3901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t8i_ehd.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t8s_fmp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t8t_a3p.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t8x_a5p.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t8x_pep.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t91_gtp.sdf -rw-rw-r-- root/root 2007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t93_flv.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t96_pep.sdf -rw-rw-r-- root/root 4038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t9a_1tb.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t9b_1cs.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t9c_1sm.sdf -rw-rw-r-- root/root 3778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t9d_1mm.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t9s_5gp.sdf -rw-rw-r-- root/root 3860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t9u_cpf.sdf -rw-rw-r-- root/root 4596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t9w_nfn.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1t9x_et.sdf -rw-rw-r-- root/root 5548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ta2_176.sdf -rw-rw-r-- root/root 6097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ta6_177.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tad_gdp.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tae_nad.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tag_gdp.sdf -rw-rw-r-- root/root 2505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tal_tam.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tb7_amp.sdf -rw-rw-r-- root/root 5708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tbf_via.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tbw_amp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tc0_atp.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tcb_bog.sdf -rw-rw-r-- root/root 11192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tco_fk5.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tcs_ndp.sdf -rw-rw-r-- root/root 6995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tcw_im1.sdf -rw-rw-r-- root/root 2713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1td7_nfl.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tdb_ufp.sdf -rw-rw-r-- root/root 3119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tdg_tbe.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tdr_mtx.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tdu_cb3.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tdu_dur.sdf -rw-rw-r-- root/root 3955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tez_hdf.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tf0_dka.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tfj_dka.sdf -rw-rw-r-- root/root 5176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tfz_869.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tg2_h2b.sdf -rw-rw-r-- root/root 4587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tg5_645.sdf -rw-rw-r-- root/root 1959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tgm_ain.sdf -rw-rw-r-- root/root 2696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tgv_5ud.sdf -rw-rw-r-- root/root 2313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tgy_r1p.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tgy_ura.sdf -rw-rw-r-- root/root 3981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1th6_oin.sdf -rw-rw-r-- root/root 3233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tha_t33.sdf -rw-rw-r-- root/root 2928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1thc_fl9.sdf -rw-rw-r-- root/root 6063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1thl_0db.sdf -rw-rw-r-- root/root 4165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1thq_lda.sdf -rw-rw-r-- root/root 4534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1thz_326.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ti1_d12.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tip_f6p.sdf -rw-rw-r-- root/root 8009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tjj_lpe.sdf -rw-rw-r-- root/root 7860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tjj_pfs.sdf -rw-rw-r-- root/root 2932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tjp_hpf.sdf -rw-rw-r-- root/root 3430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tjw_as1.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tk0_8og.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tk0_dct.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tk8_d3t.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tka_n3t.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tkb_n1t.sdf -rw-rw-r-- root/root 4313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tkc_m6t.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tkd_d3t.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tkg_ssa.sdf -rw-rw-r-- root/root 3988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tkt_h12.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tku_5rp.sdf -rw-rw-r-- root/root 3396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tkx_gwb.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tky_a3s.sdf -rw-rw-r-- root/root 3988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tkz_h16.sdf -rw-rw-r-- root/root 4081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tl1_h18.sdf -rw-rw-r-- root/root 3988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tl3_h20.sdf -rw-rw-r-- root/root 3734 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tl8_ai3.sdf -rw-rw-r-- root/root 3423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tlc_dgp.sdf -rw-rw-r-- root/root 5586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tlc_f89.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tlf_ipt.sdf -rw-rw-r-- root/root 6389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tlp_rdf.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tmm_apc.sdf -rw-rw-r-- root/root 1985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tmm_hhr.sdf -rw-rw-r-- root/root 6131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tmn_0zn.sdf -rw-rw-r-- root/root 4817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tn6_fii.sdf -rw-rw-r-- root/root 4817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tn7_fii.sdf -rw-rw-r-- root/root 4817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tn8_fii.sdf -rw-rw-r-- root/root 5859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tnb_mgm.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tnd_gsp.sdf -rw-rw-r-- root/root 5859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tno_mgm.sdf -rw-rw-r-- root/root 5859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tnu_mgm.sdf -rw-rw-r-- root/root 5859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tny_mgm.sdf -rw-rw-r-- root/root 5859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tnz_mgm.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1to9_hmh.sdf -rw-rw-r-- root/root 3230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tou_b1v.sdf -rw-rw-r-- root/root 3134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tow_crz.sdf -rw-rw-r-- root/root 3641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tp2_tda.sdf -rw-rw-r-- root/root 3278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tp7_dmx.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tpb_pgh.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tpv_pgh.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tpw_pgh.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tqm_anp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tqp_atp.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tqs_mrd.sdf -rw-rw-r-- root/root 3488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tqs_sso.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tqt_mrd.sdf -rw-rw-r-- root/root 3488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tqt_ssd.sdf -rw-rw-r-- root/root 3480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tqu_gha.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tqu_mrd.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tqv_mrd.sdf -rw-rw-r-- root/root 3489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tqv_sse.sdf -rw-rw-r-- root/root 3489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tqw_blt.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tqw_mrd.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1trk_tpp.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1trm_ben.sdf -rw-rw-r-- root/root 5586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tsd_f89.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tsd_ump.sdf -rw-rw-r-- root/root 4107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tsl_a15.sdf -rw-rw-r-- root/root 4307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tsm_mr2.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tt8_phb.sdf -rw-rw-r-- root/root 2394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tth_pal.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tu7_gsh.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tu8_gtx.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tug_ctp.sdf -rw-rw-r-- root/root 1318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tug_pct.sdf -rw-rw-r-- root/root 1986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tuv_vk3.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tv5_a26.sdf -rw-rw-r-- root/root 3995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tv6_cp9.sdf -rw-rw-r-- root/root 3889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tve_178.sdf -rw-rw-r-- root/root 3559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tvo_frz.sdf -rw-rw-r-- root/root 3736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tvr_tb9.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tvu_cb3.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tvu_ump.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tvv_cb3.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tvv_ump.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tvw_cb3.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tvw_ump.sdf -rw-rw-r-- root/root 7237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tw3_ert.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tw3_sah.sdf -rw-rw-r-- root/root 6161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tw4_chd.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tx4_gdp.sdf -rw-rw-r-- root/root 6146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1txi_tx5.sdf -rw-rw-r-- root/root 2965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1txz_apr.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ty8_adp.sdf -rw-rw-r-- root/root 1853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tyl_tyl.sdf -rw-rw-r-- root/root 4840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tys_dhf.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tys_tmp.sdf -rw-rw-r-- root/root 2384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1tzc_pa5.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u0f_g6p.sdf -rw-rw-r-- root/root 5966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u0h_onm.sdf -rw-rw-r-- root/root 2681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u0w_stl.sdf -rw-rw-r-- root/root 3758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u0y_pa7.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u0z_pg4.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u0z_rdc.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u19_htg.sdf -rw-rw-r-- root/root 3306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u1c_bau.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u1d_181.sdf -rw-rw-r-- root/root 3141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u1e_182.sdf -rw-rw-r-- root/root 4571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u1f_183.sdf -rw-rw-r-- root/root 4665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u1g_bbb.sdf -rw-rw-r-- root/root 5266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u1j_c2f.sdf -rw-rw-r-- root/root 1692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u1w_3ha.sdf -rw-rw-r-- root/root 1856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u1x_hha.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u21_p2c.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u22_thg.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u27_4ip.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u29_i3p.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u2y_gox.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u30_gox.sdf -rw-rw-r-- root/root 6058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u30_lag.sdf -rw-rw-r-- root/root 11148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u32_oka.sdf -rw-rw-r-- root/root 6318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u33_lm2.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u3a_pe5.sdf -rw-rw-r-- root/root 5193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u3g_thf.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u3i_gsh.sdf -rw-rw-r-- root/root 2545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u3q_272.sdf -rw-rw-r-- root/root 3006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u3r_338.sdf -rw-rw-r-- root/root 3006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u3s_797.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u3t_ccb.sdf -rw-rw-r-- root/root 2676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u3w_fxy.sdf -rw-rw-r-- root/root 2701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u4d_dbq.sdf -rw-rw-r-- root/root 5348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u4g_hpi.sdf -rw-rw-r-- root/root 4667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u4l_h1s.sdf -rw-rw-r-- root/root 4366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u4m_h3s.sdf -rw-rw-r-- root/root 2071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u4o_ndd.sdf -rw-rw-r-- root/root 2441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u4s_bih.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u54_acp.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u59_stu.sdf -rw-rw-r-- root/root 2164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u5a_bik.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u5b_tdp.sdf -rw-rw-r-- root/root 2164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u5c_bik.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u5c_nad.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u5r_atp.sdf -rw-rw-r-- root/root 7348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u65_cp0.sdf -rw-rw-r-- root/root 4786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u67_acd.sdf -rw-rw-r-- root/root 2862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u68_npr.sdf -rw-rw-r-- root/root 3680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u6q_745.sdf -rw-rw-r-- root/root 10643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u6s_dcc.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u70_mtx.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u71_mxa.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u72_mtx.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u87_gsh.sdf -rw-rw-r-- root/root 5437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u88_gty.sdf -rw-rw-r-- root/root 2534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u9e_397.sdf -rw-rw-r-- root/root 6491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u9n_cns.sdf -rw-rw-r-- root/root 6491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u9o_cns.sdf -rw-rw-r-- root/root 4905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u9q_186.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1u9z_r5p.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ua2_atp.sdf -rw-rw-r-- root/root 5965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ua3_mlr.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uam_sah.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ubw_gpp.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ubx_fpp.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uby_dma.sdf -rw-rw-r-- root/root 4446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1udu_cia.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ued_pg4.sdf -rw-rw-r-- root/root 5415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ueh_oxn.sdf -rw-rw-r-- root/root 86 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ueh_unl.sdf -rw-rw-r-- root/root 2183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uf5_cdt.sdf -rw-rw-r-- root/root 2480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uf8_ing.sdf -rw-rw-r-- root/root 2985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uh0_mgc.sdf -rw-rw-r-- root/root 2137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uhe_nsn.sdf -rw-rw-r-- root/root 5379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uhh_czp.sdf -rw-rw-r-- root/root 5153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uhj_czb.sdf -rw-rw-r-- root/root 5696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uhk_czn.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uhl_444.sdf -rw-rw-r-- root/root 4172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uhl_mei.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uio_hpr.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uip_pur.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uj5_5rp.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uj6_a5p.sdf -rw-rw-r-- root/root 4741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uk0_frm.sdf -rw-rw-r-- root/root 4837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uk1_frq.sdf -rw-rw-r-- root/root 2381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uki_537.sdf -rw-rw-r-- root/root 2051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ulj_bnl.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1umb_tdp.sdf -rw-rw-r-- root/root 1814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1umc_4mv.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1umc_tdp.sdf -rw-rw-r-- root/root 3102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1umg_2fp.sdf -rw-rw-r-- root/root 5455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uml_fr4.sdf -rw-rw-r-- root/root 7118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ump_sqa.sdf -rw-rw-r-- root/root 3929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1unb_pn1.sdf -rw-rw-r-- root/root 3404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ung_alh.sdf -rw-rw-r-- root/root 3005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1unh_ixm.sdf -rw-rw-r-- root/root 4715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1unl_rrc.sdf -rw-rw-r-- root/root 3760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uob_pnn.sdf -rw-rw-r-- root/root 5799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uom_pti.sdf -rw-rw-r-- root/root 2509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uou_cmu.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1upb_tpp.sdf -rw-rw-r-- root/root 1173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1upf_urf.sdf -rw-rw-r-- root/root 3683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1upj_u01.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1upr_4ip.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1upu_u5p.sdf -rw-rw-r-- root/root 17501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uqs_gmm.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1urm_bez.sdf -rw-rw-r-- root/root 5117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1urw_i1p.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1us0_ldt.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1usb_gsh.sdf -rw-rw-r-- root/root 3449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1usn_in9.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1usq_clm.sdf -rw-rw-r-- root/root 5125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ut6_a8n.sdf -rw-rw-r-- root/root 4221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1utt_cp8.sdf -rw-rw-r-- root/root 4685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1utz_pf3.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uu2_pmp.sdf -rw-rw-r-- root/root 5766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uu3_ly4.sdf -rw-rw-r-- root/root 5412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uu7_bi2.sdf -rw-rw-r-- root/root 5045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uu8_bi1.sdf -rw-rw-r-- root/root 4525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uu9_bi3.sdf -rw-rw-r-- root/root 4133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uum_afi.sdf -rw-rw-r-- root/root 3989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uuo_brf.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uux_mte.sdf -rw-rw-r-- root/root 3018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uv5_brw.sdf -rw-rw-r-- root/root 2268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uv6_cce.sdf -rw-rw-r-- root/root 4785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uvr_bi8.sdf -rw-rw-r-- root/root 4486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uvt_i48.sdf -rw-rw-r-- root/root 3636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uvu_dch.sdf -rw-rw-r-- root/root 2379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uw6_nct.sdf -rw-rw-r-- root/root 2220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uwc_fer.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uwf_deg.sdf -rw-rw-r-- root/root 4441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uwh_bax.sdf -rw-rw-r-- root/root 4441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uwj_bax.sdf -rw-rw-r-- root/root 2292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uwt_gtl.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uwu_gox.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uxu_g3h.sdf -rw-rw-r-- root/root 6638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uxy_epu.sdf -rw-rw-r-- root/root 4358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uyc_pu7.sdf -rw-rw-r-- root/root 4719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uyd_pu8.sdf -rw-rw-r-- root/root 4647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uye_pu9.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uyf_pu1.sdf -rw-rw-r-- root/root 4368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uyh_pu0.sdf -rw-rw-r-- root/root 4294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uyi_puz.sdf -rw-rw-r-- root/root 3953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uyk_pux.sdf -rw-rw-r-- root/root 4709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uym_pu3.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uyr_d1l.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uys_h1l.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uz1_ifl.sdf -rw-rw-r-- root/root 4426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uze_eal.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uzf_mco.sdf -rw-rw-r-- root/root 4237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1uzw_cdh.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v00_lat.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v08_ntz.sdf -rw-rw-r-- root/root 1690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v0h_sha.sdf -rw-rw-r-- root/root 3203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v0o_inr.sdf -rw-rw-r-- root/root 2623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v0p_pvb.sdf -rw-rw-r-- root/root 2023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v1a_kdg.sdf -rw-rw-r-- root/root 2042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v1j_fa3.sdf -rw-rw-r-- root/root 5099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v1k_3fp.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v2h_gun.sdf -rw-rw-r-- root/root 5057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v2n_bba.sdf -rw-rw-r-- root/root 4902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v2o_anh.sdf -rw-rw-r-- root/root 4402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v39_m7g.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v3d_dan.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v3e_zmr.sdf -rw-rw-r-- root/root 2696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v3q_2di.sdf -rw-rw-r-- root/root 2334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v3v_5op.sdf -rw-rw-r-- root/root 5417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v3x_d76.sdf -rw-rw-r-- root/root 4675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v40_o16.sdf -rw-rw-r-- root/root 1454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v41_azg.sdf -rw-rw-r-- root/root 2966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v45_3dg.sdf -rw-rw-r-- root/root 3316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v48_ha1.sdf -rw-rw-r-- root/root 3261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v4s_mrk.sdf -rw-rw-r-- root/root 1725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v5y_4hc.sdf -rw-rw-r-- root/root 1869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v5z_2hc.sdf -rw-rw-r-- root/root 3570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v79_fr7.sdf -rw-rw-r-- root/root 4193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v7a_frc.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v7u_fpp.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v97_mte.sdf -rw-rw-r-- root/root 4210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1v9q_czm.sdf -rw-rw-r-- root/root 3605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1va6_p2s.sdf -rw-rw-r-- root/root 4107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vaf_arr.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vaf_h4b.sdf -rw-rw-r-- root/root 4107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vag_arr.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vag_h4b.sdf -rw-rw-r-- root/root 1458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vah_npo.sdf -rw-rw-r-- root/root 3326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1val_png.sdf -rw-rw-r-- root/root 3326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vam_pna.sdf -rw-rw-r-- root/root 1372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vay_aza.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vbh_pep.sdf -rw-rw-r-- root/root 5304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vbm_ysa.sdf -rw-rw-r-- root/root 5304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vbn_ysa.sdf -rw-rw-r-- root/root 3111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vcj_iba.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vcu_dan.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vd5_dtt.sdf -rw-rw-r-- root/root 528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vdv_mos.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vdv_mte.sdf -rw-rw-r-- root/root 3570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vdv_ysh.sdf -rw-rw-r-- root/root 1910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ve7_4np.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ve9_bez.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ve9_fad.sdf -rw-rw-r-- root/root 5833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1veb_i05.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vf1_gsh.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vf2_gtx.sdf -rw-rw-r-- root/root 4706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vf3_gdn.sdf -rw-rw-r-- root/root 1361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vfn_hpa.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vg0_ger.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vg8_gnp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vg9_gdp.sdf -rw-rw-r-- root/root 2753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vgc_v36.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vhw_adn.sdf -rw-rw-r-- root/root 1762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vid_dnc.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vid_sam.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vif_fol.sdf -rw-rw-r-- root/root 5372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vj3_tab.sdf -rw-rw-r-- root/root 3096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vj5_ciu.sdf -rw-rw-r-- root/root 6602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vj9_5in.sdf -rw-rw-r-- root/root 5434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vja_7in.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vjc_atp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vjd_atp.sdf -rw-rw-r-- root/root 3429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vjy_460.sdf -rw-rw-r-- root/root 4922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vkg_cri.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vl9_mrd.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vm1_taz.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vom_adp.sdf -rw-rw-r-- root/root 3573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vru_aap.sdf -rw-rw-r-- root/root 3614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vso_at1.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vst_prp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vtk_adp.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vtk_tmp.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vza_ump.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vzb_ump.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vzc_ufp.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vzd_cb3.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vzd_ufp.sdf -rw-rw-r-- root/root 5237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vzq_shy.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1vzu_lat.sdf -rw-rw-r-- root/root 3620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w04_hcg.sdf -rw-rw-r-- root/root 3880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w06_w05.sdf -rw-rw-r-- root/root 2056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w0c_taq.sdf -rw-rw-r-- root/root 2850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w0g_myt.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w0o_dan.sdf -rw-rw-r-- root/root 5261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w0y_771.sdf -rw-rw-r-- root/root 5200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w0z_si1.sdf -rw-rw-r-- root/root 5330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w11_sk1.sdf -rw-rw-r-- root/root 5506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w13_sm1.sdf -rw-rw-r-- root/root 4555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w19_t1p.sdf -rw-rw-r-- root/root 4555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w19_t2p.sdf -rw-rw-r-- root/root 4555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w19_t4p.sdf -rw-rw-r-- root/root 4555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w19_t5p.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w1d_4ip.sdf -rw-rw-r-- root/root 4999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w1g_4pt.sdf -rw-rw-r-- root/root 1954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w1p_gio.sdf -rw-rw-r-- root/root 2861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w1t_chq.sdf -rw-rw-r-- root/root 3354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w1v_alj.sdf -rw-rw-r-- root/root 3213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w1y_typ.sdf -rw-rw-r-- root/root 3793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w22_nhb.sdf -rw-rw-r-- root/root 4815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w29_ts0.sdf -rw-rw-r-- root/root 4815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w29_ts1.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w2c_i3p.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w2d_4ip.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w2g_thm.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w2h_atm.sdf -rw-rw-r-- root/root 5173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w2k_380.sdf -rw-rw-r-- root/root 3926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w2o_p1c.sdf -rw-rw-r-- root/root 6432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w2x_rcp.sdf -rw-rw-r-- root/root 1930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w3j_oxz.sdf -rw-rw-r-- root/root 4577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w3v_mdz.sdf -rw-rw-r-- root/root 4505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w3x_w2x.sdf -rw-rw-r-- root/root 5428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w3y_pvc.sdf -rw-rw-r-- root/root 6893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w4l_gl8.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w4o_ua3.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w4p_um3.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w4q_umf.sdf -rw-rw-r-- root/root 8158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w6h_tit.sdf -rw-rw-r-- root/root 4965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w6j_r71.sdf -rw-rw-r-- root/root 7181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w6k_lan.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w6o_lat.sdf -rw-rw-r-- root/root 3833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w6r_gnt.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w6y_equ.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w78_adp.sdf -rw-rw-r-- root/root 3721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w78_pd8.sdf -rw-rw-r-- root/root 1946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w7f_ict.sdf -rw-rw-r-- root/root 5941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w7g_miu.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w7n_pmp.sdf -rw-rw-r-- root/root 6361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w7x_413.sdf -rw-rw-r-- root/root 4292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w82_l10.sdf -rw-rw-r-- root/root 5107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w83_l11.sdf -rw-rw-r-- root/root 2265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w8l_1p3.sdf -rw-rw-r-- root/root 2541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w8m_e1p.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w8n_dan.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w8o_lbt.sdf -rw-rw-r-- root/root 3115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w8s_fbp.sdf -rw-rw-r-- root/root 7229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w96_s1a.sdf -rw-rw-r-- root/root 4271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w9b_cgt.sdf -rw-rw-r-- root/root 1295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w9b_gol.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w9i_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w9j_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w9k_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1w9l_adp.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wa5_gtp.sdf -rw-rw-r-- root/root 2225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wax_lo1.sdf -rw-rw-r-- root/root 2578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wb4_sxx.sdf -rw-rw-r-- root/root 2479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wb5_syr.sdf -rw-rw-r-- root/root 2130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wb6_vxx.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wbj_g3p.sdf -rw-rw-r-- root/root 7680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wbk_568.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wbn_l09.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wbp_adp.sdf -rw-rw-r-- root/root 5307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wbs_li2.sdf -rw-rw-r-- root/root 5307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wbt_wbt.sdf -rw-rw-r-- root/root 5523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wci_wwf.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wcq_dan.sdf -rw-rw-r-- root/root 3534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wda_bag.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wdd_cap.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1we2_adp.sdf -rw-rw-r-- root/root 2032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1we2_dhk.sdf -rw-rw-r-- root/root 2480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wht_bzs.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wk9_tsb.sdf -rw-rw-r-- root/root 4594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wkg_poi.sdf -rw-rw-r-- root/root 4102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wkh_ppe.sdf -rw-rw-r-- root/root 6464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wl6_xpe.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wlr_pg4.sdf -rw-rw-r-- root/root 3554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wm0_plb.sdf -rw-rw-r-- root/root 2995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wm1_ptb.sdf -rw-rw-r-- root/root 3490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wma_ab3.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wma_pe5.sdf -rw-rw-r-- root/root 5321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wn6_bst.sdf -rw-rw-r-- root/root 1755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1woa_g2h.sdf -rw-rw-r-- root/root 2812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wok_cnq.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1woo_thg.sdf -rw-rw-r-- root/root 5195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wop_ffo.sdf -rw-rw-r-- root/root 2424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wor_red.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wpl_hbi.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wpq_13p.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wq1_gdp.sdf -rw-rw-r-- root/root 2216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wq3_iyr.sdf -rw-rw-r-- root/root 5818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wqv_psm.sdf -rw-rw-r-- root/root 4732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wrk_tfp.sdf -rw-rw-r-- root/root 1562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wrr_unc.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ws1_bb2.sdf -rw-rw-r-- root/root 1514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ws2_urn.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ws3_ura.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ws4_amg.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ws4_gyp.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ws5_mma.sdf -rw-rw-r-- root/root 7005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wss_3cb.sdf -rw-rw-r-- root/root 5267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wsv_thh.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wt3_udp.sdf -rw-rw-r-- root/root 7031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wtg_3bp.sdf -rw-rw-r-- root/root 15593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wua_ap8.sdf -rw-rw-r-- root/root 6496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wun_p5b.sdf -rw-rw-r-- root/root 4740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wut_bn2.sdf -rw-rw-r-- root/root 3960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wuy_bn3.sdf -rw-rw-r-- root/root 4469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wv0_bn4.sdf -rw-rw-r-- root/root 4469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wv1_bn5.sdf -rw-rw-r-- root/root 7369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wv7_5pi.sdf -rw-rw-r-- root/root 2376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wva_s2c.sdf -rw-rw-r-- root/root 2845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wvj_ibc.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wvx_bd4.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wvy_stu.sdf -rw-rw-r-- root/root 2848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wxj_ipl.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wxy_frk.sdf -rw-rw-r-- root/root 4680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wxz_frl.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wyg_sal.sdf -rw-rw-r-- root/root 4484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wzd_yok.sdf -rw-rw-r-- root/root 3964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wzf_yol.sdf -rw-rw-r-- root/root 3682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wzg_yom.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wzu_mlt.sdf -rw-rw-r-- root/root 4171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1wzy_f29.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x06_fps.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x07_ipe.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x08_fps.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x09_ipe.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x0j_dtt.sdf -rw-rw-r-- root/root 2842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x1i_46m.sdf -rw-rw-r-- root/root 4562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x1j_46d.sdf -rw-rw-r-- root/root 3994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x28_pgu.sdf -rw-rw-r-- root/root 4255 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x29_pmg.sdf -rw-rw-r-- root/root 4001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x2a_pdg.sdf -rw-rw-r-- root/root 2630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x2b_stx.sdf -rw-rw-r-- root/root 2630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x2e_atx.sdf -rw-rw-r-- root/root 2271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x2h_lpa.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x3w_suc.sdf -rw-rw-r-- root/root 7639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x6n_ao3.sdf -rw-rw-r-- root/root 3196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x6u_do8.sdf -rw-rw-r-- root/root 3982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x70_715.sdf -rw-rw-r-- root/root 1694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x71_db1.sdf -rw-rw-r-- root/root 2638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x76_697.sdf -rw-rw-r-- root/root 2898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x78_244.sdf -rw-rw-r-- root/root 5006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x7a_187.sdf -rw-rw-r-- root/root 2815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x7b_041.sdf -rw-rw-r-- root/root 2810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x7j_gen.sdf -rw-rw-r-- root/root 2384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x7n_pa5.sdf -rw-rw-r-- root/root 5146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x81_jan.sdf -rw-rw-r-- root/root 2630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x83_sbh.sdf -rw-rw-r-- root/root 2630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x84_sbh.sdf -rw-rw-r-- root/root 3298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x88_nat.sdf -rw-rw-r-- root/root 9452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x89_cm1.sdf -rw-rw-r-- root/root 3470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x8b_824.sdf -rw-rw-r-- root/root 4305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x8i_bmh.sdf -rw-rw-r-- root/root 3744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x8r_sc1.sdf -rw-rw-r-- root/root 3744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x8t_rc1.sdf -rw-rw-r-- root/root 9192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x8u_cm2.sdf -rw-rw-r-- root/root 4080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x8v_esl.sdf -rw-rw-r-- root/root 2820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x97_fir.sdf -rw-rw-r-- root/root 4348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x9d_smd.sdf -rw-rw-r-- root/root 2643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x9h_f6r.sdf -rw-rw-r-- root/root 2642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1x9i_g6q.sdf -rw-rw-r-- root/root 2917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xai_crb.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xan_hxp.sdf -rw-rw-r-- root/root 6180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xbb_sti.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xbc_stu.sdf -rw-rw-r-- root/root 4590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xbo_ix1.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xbv_5rp.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xbx_5rp.sdf -rw-rw-r-- root/root 2268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xbx_hms.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xby_5rp.sdf -rw-rw-r-- root/root 2361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xbz_lx1.sdf -rw-rw-r-- root/root 3618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xc9_bap.sdf -rw-rw-r-- root/root 5953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xcw_3sa.sdf -rw-rw-r-- root/root 7830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xcx_iab.sdf -rw-rw-r-- root/root 9707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xd0_are.sdf -rw-rw-r-- root/root 11584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xd1_6sa.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xd2_gdp.sdf -rw-rw-r-- root/root 8336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xdd_aay.sdf -rw-rw-r-- root/root 8146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xdg_ab8.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xds_sam.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xdu_sfg.sdf -rw-rw-r-- root/root 8559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xe5_5fe.sdf -rw-rw-r-- root/root 8300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xe6_5fp.sdf -rw-rw-r-- root/root 2257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xes_3io.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xf0_asd.sdf -rw-rw-r-- root/root 1928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xfg_hga.sdf -rw-rw-r-- root/root 2753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xgi_nst.sdf -rw-rw-r-- root/root 2902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xgj_htc.sdf -rw-rw-r-- root/root 11584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xh0_aao.sdf -rw-rw-r-- root/root 6176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xh4_r69.sdf -rw-rw-r-- root/root 7335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xh5_r68.sdf -rw-rw-r-- root/root 6803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xh6_r94.sdf -rw-rw-r-- root/root 7323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xh7_r96.sdf -rw-rw-r-- root/root 7323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xh8_r55.sdf -rw-rw-r-- root/root 2477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xi2_cb1.sdf -rw-rw-r-- root/root 1833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xic_xls.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xid_asc.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xie_aso.sdf -rw-rw-r-- root/root 1833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xii_xul.sdf -rw-rw-r-- root/root 1509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xij_the.sdf -rw-rw-r-- root/root 1906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xim_xyl.sdf -rw-rw-r-- root/root 1906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xin_xyl.sdf -rw-rw-r-- root/root 3335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xiv_rb2.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xjd_stu.sdf -rw-rw-r-- root/root 2394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xjw_pal.sdf -rw-rw-r-- root/root 4823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xka_4pp.sdf -rw-rw-r-- root/root 6046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xkk_fmm.sdf -rw-rw-r-- root/root 3304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xkx_imk.sdf -rw-rw-r-- root/root 7543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xl2_189.sdf -rw-rw-r-- root/root 6936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xl5_190.sdf -rw-rw-r-- root/root 2448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xl8_152.sdf -rw-rw-r-- root/root 4461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xl8_ocb.sdf -rw-rw-r-- root/root 1906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xld_xyl.sdf -rw-rw-r-- root/root 2280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xlf_gco.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xli_glt.sdf -rw-rw-r-- root/root 1906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xlm_xyl.sdf -rw-rw-r-- root/root 1805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xlr_vnl.sdf -rw-rw-r-- root/root 3030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xls_tcd.sdf -rw-rw-r-- root/root 1473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xlu_isp.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xlx_cio.sdf -rw-rw-r-- root/root 3725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xlz_fil.sdf -rw-rw-r-- root/root 10350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xm1_gah.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xm4_pil.sdf -rw-rw-r-- root/root 3454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xm6_5rm.sdf -rw-rw-r-- root/root 4402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xmm_m7g.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xmu_rof.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xmy_rol.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xn0_rol.sdf -rw-rw-r-- root/root 4093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xnn_hyq.sdf -rw-rw-r-- root/root 4485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xnx_ate.sdf -rw-rw-r-- root/root 2076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xnz_fcd.sdf -rw-rw-r-- root/root 2904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xo2_fse.sdf -rw-rw-r-- root/root 4036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xoe_abx.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xog_abw.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xom_cio.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xon_pil.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xoq_rof.sdf -rw-rw-r-- root/root 2707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xor_zar.sdf -rw-rw-r-- root/root 5708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xos_via.sdf -rw-rw-r-- root/root 5969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xot_vdn.sdf -rw-rw-r-- root/root 4083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xow_r18.sdf -rw-rw-r-- root/root 4446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xoz_cia.sdf -rw-rw-r-- root/root 5969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xp0_vdn.sdf -rw-rw-r-- root/root 5898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xp1_aih.sdf -rw-rw-r-- root/root 8569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xp5_tg1.sdf -rw-rw-r-- root/root 5638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xp9_aij.sdf -rw-rw-r-- root/root 5266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xpg_c2f.sdf -rw-rw-r-- root/root 3556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xpo_bcm.sdf -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xpq_spm.sdf -rw-rw-r-- root/root 3743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xpr_fb.sdf -rw-rw-r-- root/root 4903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xpu_fpd.sdf -rw-rw-r-- root/root 3699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xpz_4tz.sdf -rw-rw-r-- root/root 3709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xq0_4tr.sdf -rw-rw-r-- root/root 5988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xqc_aej.sdf -rw-rw-r-- root/root 6532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xqd_dnd.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xqh_sah.sdf -rw-rw-r-- root/root 3310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xqk_pmh.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xql_pmp.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xqp_8hg.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xqs_amp.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xqx_pcs.sdf -rw-rw-r-- root/root 1432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xr3_isz.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xry_bes.sdf -rw-rw-r-- root/root 1249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xsp_ppv.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xt4_gun.sdf -rw-rw-r-- root/root 2809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xtb_s6p.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xtq_gdp.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xtr_gnp.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xts_gtp.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xtt_u5p.sdf -rw-rw-r-- root/root 4560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xuc_pb3.sdf -rw-rw-r-- root/root 4576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xud_pb4.sdf -rw-rw-r-- root/root 3717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xuh_bao.sdf -rw-rw-r-- root/root 6881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xuo_la1.sdf -rw-rw-r-- root/root 3878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xur_pb5.sdf -rw-rw-r-- root/root 4935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xv9_ci2.sdf -rw-rw-r-- root/root 3655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xvp_cid.sdf -rw-rw-r-- root/root 4151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xvp_f15.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xw5_gsh.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xwf_adn.sdf -rw-rw-r-- root/root 5045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xws_bi1.sdf -rw-rw-r-- root/root 2667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xxp_ptr.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xxs_ste.sdf -rw-rw-r-- root/root 2444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xyc_3mf.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xym_glo.sdf -rw-rw-r-- root/root 11266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xz0_jh0.sdf -rw-rw-r-- root/root 5193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1xzq_fon.sdf -rw-rw-r-- root/root 6368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y0s_331.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y0x_t44.sdf -rw-rw-r-- root/root 2467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y1d_fhi.sdf -rw-rw-r-- root/root 2201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y2b_dee.sdf -rw-rw-r-- root/root 3211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y2c_3de.sdf -rw-rw-r-- root/root 3464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y2d_4de.sdf -rw-rw-r-- root/root 3288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y2e_5de.sdf -rw-rw-r-- root/root 5095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y2f_wai.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y2g_cl3.sdf -rw-rw-r-- root/root 3122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y2h_6de.sdf -rw-rw-r-- root/root 3335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y2j_7de.sdf -rw-rw-r-- root/root 3335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y2k_7de.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y38_g3p.sdf -rw-rw-r-- root/root 5995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y3u_uiq.sdf -rw-rw-r-- root/root 5842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y3v_uir.sdf -rw-rw-r-- root/root 5735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y3w_uip.sdf -rw-rw-r-- root/root 5888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y3x_uib.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y4l_p33.sdf -rw-rw-r-- root/root 11572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y4l_svr.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y55_btn.sdf -rw-rw-r-- root/root 5929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y57_mpz.sdf -rw-rw-r-- root/root 4566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y59_tl1.sdf -rw-rw-r-- root/root 4572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y5a_tl2.sdf -rw-rw-r-- root/root 4566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y5b_tl3.sdf -rw-rw-r-- root/root 2311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y5m_oct.sdf -rw-rw-r-- root/root 4951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y5r_c0r.sdf -rw-rw-r-- root/root 3523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y5v_ne8.sdf -rw-rw-r-- root/root 3783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y5w_nez.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y5x_e89.sdf -rw-rw-r-- root/root 4773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y6a_aaz.sdf -rw-rw-r-- root/root 5317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y6b_aax.sdf -rw-rw-r-- root/root 6726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y6o_mji.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y6r_mtm.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y7i_sal.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y8j_sts.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y8o_adp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y8p_atp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y8q_atp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y8r_atp.sdf -rw-rw-r-- root/root 5947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y91_ct9.sdf -rw-rw-r-- root/root 3090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y9l_und.sdf -rw-rw-r-- root/root 4862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y9r_1ca.sdf -rw-rw-r-- root/root 3234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1y9t_hhg.sdf -rw-rw-r-- root/root 5136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ya4_ctx.sdf -rw-rw-r-- root/root 1555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ya8_smb.sdf -rw-rw-r-- root/root 3888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yae_doq.sdf -rw-rw-r-- root/root 1295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yah_eee.sdf -rw-rw-r-- root/root 1598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yb6_mnn.sdf -rw-rw-r-- root/root 1730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yb7_icn.sdf -rw-rw-r-- root/root 6613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ybg_tav.sdf -rw-rw-r-- root/root 3873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ybh_cie.sdf -rw-rw-r-- root/root 3019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ybq_bdh.sdf -rw-rw-r-- root/root 2002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ybv_bea.sdf -rw-rw-r-- root/root 3982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yc1_4bc.sdf -rw-rw-r-- root/root 5850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yc2_2pe.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yc2_nad.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yc2_nca.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yc2_pg4.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yc2_pge.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yc5_nca.sdf -rw-rw-r-- root/root 3063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ycl_kri.sdf -rw-rw-r-- root/root 3390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ydr_iqp.sdf -rw-rw-r-- root/root 3023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yds_iqs.sdf -rw-rw-r-- root/root 4298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ydt_iqb.sdf -rw-rw-r-- root/root 1713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yfw_4aa.sdf -rw-rw-r-- root/root 1692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yfy_3ha.sdf -rw-rw-r-- root/root 5984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ygc_905.sdf -rw-rw-r-- root/root 4975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ygj_rmc.sdf -rw-rw-r-- root/root 4715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ygk_rrc.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yhc_pam.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yhj_r6c.sdf -rw-rw-r-- root/root 3778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yhy_1mm.sdf -rw-rw-r-- root/root 1767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yhy_p22.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yhz_1cs.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yi0_1sm.sdf -rw-rw-r-- root/root 4038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yi1_1tb.sdf -rw-rw-r-- root/root 3692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yi3_ly2.sdf -rw-rw-r-- root/root 5804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yim_cm4.sdf -rw-rw-r-- root/root 6075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yin_cm3.sdf -rw-rw-r-- root/root 6473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ykc_gds.sdf -rw-rw-r-- root/root 1913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yki_nfz.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ykj_phb.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ykl_dhb.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ykn_dhb.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ykp_dhb.sdf -rw-rw-r-- root/root 4098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ykr_628.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ymg_bng.sdf -rw-rw-r-- root/root 11092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ymt_dr9.sdf -rw-rw-r-- root/root 15014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ynd_sfa.sdf -rw-rw-r-- root/root 2890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ynh_suo.sdf -rw-rw-r-- root/root 3337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yni_sug.sdf -rw-rw-r-- root/root 11051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ynj_srn.sdf -rw-rw-r-- root/root 2435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yns_hpo.sdf -rw-rw-r-- root/root 1857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yoe_rib.sdf -rw-rw-r-- root/root 5378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yol_s03.sdf -rw-rw-r-- root/root 4713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yom_p01.sdf -rw-rw-r-- root/root 4406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1you_pfd.sdf -rw-rw-r-- root/root 10115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yow_p0e.sdf -rw-rw-r-- root/root 10620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yp0_pef.sdf -rw-rw-r-- root/root 2370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yp6_prz.sdf -rw-rw-r-- root/root 5215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yp9_uiz.sdf -rw-rw-r-- root/root 2588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yq7_ris.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yqn_gpp.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yqq_gun.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yqr_8og.sdf -rw-rw-r-- root/root 3832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yqy_915.sdf -rw-rw-r-- root/root 1454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yr3_xan.sdf -rw-rw-r-- root/root 3420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yrs_l47.sdf -rw-rw-r-- root/root 3345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yry_msg.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yt0_adp.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yt1_pg4.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yt2_pg4.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yte_pcp.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ytk_ncn.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yum_ncn.sdf -rw-rw-r-- root/root 4065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yvf_ph7.sdf -rw-rw-r-- root/root 5958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yvj_4st.sdf -rw-rw-r-- root/root 1648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yvj_dtv.sdf -rw-rw-r-- root/root 2000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yvm_tmg.sdf -rw-rw-r-- root/root 4384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yvx_ipc.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yvz_jpc.sdf -rw-rw-r-- root/root 4527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yw2_pgj.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yw7_a41.sdf -rw-rw-r-- root/root 3676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yw8_a75.sdf -rw-rw-r-- root/root 4998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yw9_a84.sdf -rw-rw-r-- root/root 5372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ywn_lif.sdf -rw-rw-r-- root/root 20288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yxq_swi.sdf -rw-rw-r-- root/root 2625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yxx_li7.sdf -rw-rw-r-- root/root 2805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yy4_4na.sdf -rw-rw-r-- root/root 2910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yye_196.sdf -rw-rw-r-- root/root 3672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yyr_saz.sdf -rw-rw-r-- root/root 3672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yyt_saz.sdf -rw-rw-r-- root/root 3672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yyu_raz.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yz3_sah.sdf -rw-rw-r-- root/root 1967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yz3_ska.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yzk_gnp.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yzn_gnp.sdf -rw-rw-r-- root/root 3545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1yzx_gsf.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z10_cou.sdf -rw-rw-r-- root/root 2267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z11_8mo.sdf -rw-rw-r-- root/root 1791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z2l_1al.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z2n_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z2o_adp.sdf -rw-rw-r-- root/root 4037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z2o_i4p.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z2p_acp.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z2p_i3s.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z3n_3na.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z4i_ump.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z4j_u2p.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z4k_t3p.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z4l_tmp.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z4m_u5p.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z4o_gl1.sdf -rw-rw-r-- root/root 3423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z4p_dgp.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z4q_d4m.sdf -rw-rw-r-- root/root 5463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z4u_ph9.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z4v_dan.sdf -rw-rw-r-- root/root 7378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z4x_slt.sdf -rw-rw-r-- root/root 2701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z57_dbq.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z5a_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z5b_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z5c_adp.sdf -rw-rw-r-- root/root 5968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z5m_li8.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z5n_ade.sdf -rw-rw-r-- root/root 2113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z5n_sr1.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z5o_mta.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z5p_pe5.sdf -rw-rw-r-- root/root 1794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z5u_cmp.sdf -rw-rw-r-- root/root 3538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z62_iaa.sdf -rw-rw-r-- root/root 7948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z6j_py3.sdf -rw-rw-r-- root/root 3890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z6l_dre.sdf -rw-rw-r-- root/root 4198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z6p_194.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z6s_amp.sdf -rw-rw-r-- root/root 4903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z71_l17.sdf -rw-rw-r-- root/root 2818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z7j_t4a.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z7n_prp.sdf -rw-rw-r-- root/root 3899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z7y_aa5.sdf -rw-rw-r-- root/root 2825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z89_62p.sdf -rw-rw-r-- root/root 3676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z8n_1iq.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z8n_tpp.sdf -rw-rw-r-- root/root 5769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z8o_deb.sdf -rw-rw-r-- root/root 5769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z8p_deb.sdf -rw-rw-r-- root/root 5769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z8q_deb.sdf -rw-rw-r-- root/root 2920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z9g_rrt.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1z9h_imn.sdf -rw-rw-r-- root/root 1148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1za2_cp.sdf -rw-rw-r-- root/root 2769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zab_urd.sdf -rw-rw-r-- root/root 2640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zaf_789.sdf -rw-rw-r-- root/root 3268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zaj_m2p.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zao_atp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zar_adp.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zc9_pmp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zca_gdp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zcb_gdp.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zcn_1pe.sdf -rw-rw-r-- root/root 2721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zd2_nc3.sdf -rw-rw-r-- root/root 3241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zd3_nc4.sdf -rw-rw-r-- root/root 3761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zd4_nc6.sdf -rw-rw-r-- root/root 4021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zd5_nc7.sdf -rw-rw-r-- root/root 2920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zdp_tio.sdf -rw-rw-r-- root/root 10620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zdt_pef.sdf -rw-rw-r-- root/root 12016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zdu_p3a.sdf -rw-rw-r-- root/root 2081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zed_pnp.sdf -rw-rw-r-- root/root 1234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zeg_iph.sdf -rw-rw-r-- root/root 1493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zeh_crs.sdf -rw-rw-r-- root/root 1493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zei_crs.sdf -rw-rw-r-- root/root 5526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zeo_c01.sdf -rw-rw-r-- root/root 3592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zfk_nr2.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zg3_2hi.sdf -rw-rw-r-- root/root 2670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zg7_p20.sdf -rw-rw-r-- root/root 2658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zg8_l98.sdf -rw-rw-r-- root/root 2529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zg9_l06.sdf -rw-rw-r-- root/root 3187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zga_hmk.sdf -rw-rw-r-- root/root 7260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zgb_a1e.sdf -rw-rw-r-- root/root 7260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zgc_a2e.sdf -rw-rw-r-- root/root 5050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zgi_382.sdf -rw-rw-r-- root/root 3445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zgj_p1s.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zgn_gsh.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zgs_xmm.sdf -rw-rw-r-- root/root 4107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zgv_501.sdf -rw-rw-r-- root/root 2666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zh0_nal.sdf -rw-rw-r-- root/root 2561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zh6_4af.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zha_pep.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zha_r5p.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zhp_ben.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zhr_ben.sdf -rw-rw-r-- root/root 6659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zht_hcr.sdf -rw-rw-r-- root/root 6659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zhw_hc2.sdf -rw-rw-r-- root/root 6659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zhx_hc3.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zhy_clr.sdf -rw-rw-r-- root/root 6492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zhz_erg.sdf -rw-rw-r-- root/root 4603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zi3_nlc.sdf -rw-rw-r-- root/root 6399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zi4_dr2.sdf -rw-rw-r-- root/root 6399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zi5_dr3.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zi5_udp.sdf -rw-rw-r-- root/root 4603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zj1_nlc.sdf -rw-rw-r-- root/root 6399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zj2_dr3.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zj2_udp.sdf -rw-rw-r-- root/root 6399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zj3_dr2.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zji_2pg.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zji_r5p.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zjn_dgt.sdf -rw-rw-r-- root/root 4818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zjo_dr4.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zjo_udp.sdf -rw-rw-r-- root/root 4818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zjp_dr4.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zjp_udp.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zkk_sah.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zkl_ibm.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zkn_ibm.sdf -rw-rw-r-- root/root 3272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zlq_edt.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zly_dqb.sdf -rw-rw-r-- root/root 2392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zly_grf.sdf -rw-rw-r-- root/root 2965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zm2_apr.sdf -rw-rw-r-- root/root 6418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zm4_tad.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zm7_ttp.sdf -rw-rw-r-- root/root 3585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zm9_p34.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zn7_ade.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zn7_prp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zn9_amp.sdf -rw-rw-r-- root/root 1633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1znd_pe9.sdf -rw-rw-r-- root/root 1893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zne_he2.sdf -rw-rw-r-- root/root 2153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zng_he4.sdf -rw-rw-r-- root/root 2413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1znh_oc9.sdf -rw-rw-r-- root/root 2665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1znk_f09.sdf -rw-rw-r-- root/root 2933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1znl_de1.sdf -rw-rw-r-- root/root 5906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zo9_epm.sdf -rw-rw-r-- root/root 5033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zoa_140.sdf -rw-rw-r-- root/root 2179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zoe_k25.sdf -rw-rw-r-- root/root 1834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zog_k37.sdf -rw-rw-r-- root/root 2286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zoh_k44.sdf -rw-rw-r-- root/root 3693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zot_ema.sdf -rw-rw-r-- root/root 5266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zp4_c2f.sdf -rw-rw-r-- root/root 3658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zp5_2ni.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zp9_atp.sdf -rw-rw-r-- root/root 4182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zpd_dpx.sdf -rw-rw-r-- root/root 2541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zpl_mag.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zpt_nai.sdf -rw-rw-r-- root/root 5594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zq5_e04.sdf -rw-rw-r-- root/root 4032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zr8_ajm.sdf -rw-rw-r-- root/root 5524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zrb_062.sdf -rw-rw-r-- root/root 3801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zrk_367.sdf -rw-rw-r-- root/root 5045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zrz_bi1.sdf -rw-rw-r-- root/root 4351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zs0_ein.sdf -rw-rw-r-- root/root 3770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zsj_709.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zsk_421.sdf -rw-rw-r-- root/root 2968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ztf_xya.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zth_adp.sdf -rw-rw-r-- root/root 5398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1ztq_033.sdf -rw-rw-r-- root/root 3500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zua_tol.sdf -rw-rw-r-- root/root 3317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zuc_t98.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zui_skm.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zvw_prp.sdf -rw-rw-r-- root/root 4351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zvx_fin.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zw6_gnp.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zw9_h64.sdf -rw-rw-r-- root/root 1631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zwh_rde.sdf -rw-rw-r-- root/root 3078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zwp_nim.sdf -rw-rw-r-- root/root 4351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zxc_ih6.sdf -rw-rw-r-- root/root 3443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zxv_mfm.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zxy_prp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zy5_anp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zyd_atp.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zyq_dad.sdf -rw-rw-r-- root/root 5044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zys_199.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zyu_acp.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zyu_skm.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zyx_lcf.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zz1_shh.sdf -rw-rw-r-- root/root 5375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zz2_b11.sdf -rw-rw-r-- root/root 2366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/1zz3_3yp.sdf -rw-rw-r-- root/root 6587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/20gs_cbd.sdf -rw-rw-r-- root/root 4799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a0c_ck9.sdf -rw-rw-r-- root/root 1318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a0f_pct.sdf -rw-rw-r-- root/root 3483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a0w_dih.sdf -rw-rw-r-- root/root 3483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a0x_dih.sdf -rw-rw-r-- root/root 3483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a0y_dih.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a19_anp.sdf -rw-rw-r-- root/root 2450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a1o_cam.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a2c_adp.sdf -rw-rw-r-- root/root 3184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a2c_ng1.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a2d_anp.sdf -rw-rw-r-- root/root 1864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a2q_pbz.sdf -rw-rw-r-- root/root 3322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a2r_gsn.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a2z_dcz.sdf -rw-rw-r-- root/root 1831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a31_pg3.sdf -rw-rw-r-- root/root 1971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a3a_tep.sdf -rw-rw-r-- root/root 2236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a3b_cff.sdf -rw-rw-r-- root/root 3463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a3c_pnx.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a3h_cbi.sdf -rw-rw-r-- root/root 4951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a3i_c0r.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a3r_a3p.sdf -rw-rw-r-- root/root 5269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a3x_cpk.sdf -rw-rw-r-- root/root 4902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a3y_cpj.sdf -rw-rw-r-- root/root 9049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a4r_bnh.sdf -rw-rw-r-- root/root 2304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a4z_bym.sdf -rw-rw-r-- root/root 4122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a57_crm.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a58_rbf.sdf -rw-rw-r-- root/root 3115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a59_lmz.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a5b_8hg.sdf -rw-rw-r-- root/root 3133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a5c_8da.sdf -rw-rw-r-- root/root 2376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a5u_qyt.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a5x_anp.sdf -rw-rw-r-- root/root 2413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a7p_3il.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a7q_cfb.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a7x_amp.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a81_bcn.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a84_atp.sdf -rw-rw-r-- root/root 2426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a85_hoc.sdf -rw-rw-r-- root/root 2966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a8g_gng.sdf -rw-rw-r-- root/root 4527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a8h_4nh.sdf -rw-rw-r-- root/root 4333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a8u_dr5.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a8u_udp.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a92_nai.sdf -rw-rw-r-- root/root 6927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a94_ap0.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a9k_nad.sdf -rw-rw-r-- root/root 4119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a9w_ga9.sdf -rw-rw-r-- root/root 3487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2a9y_26a.sdf -rw-rw-r-- root/root 4876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aa2_as4.sdf -rw-rw-r-- root/root 6927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aa3_ap0.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aa5_str.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aa6_str.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aa9_skm.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aaq_aup.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aat_pmp.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aaw_gtx.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aaw_p33.sdf -rw-rw-r-- root/root 4714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aax_pdn.sdf -rw-rw-r-- root/root 1768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aay_gpj.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aay_skm.sdf -rw-rw-r-- root/root 5511 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ab2_snl.sdf -rw-rw-r-- root/root 3617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ab6_gsm.sdf -rw-rw-r-- root/root 3144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ab8_mtp.sdf -rw-rw-r-- root/root 4862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2abi_1ca.sdf -rw-rw-r-- root/root 3480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2abj_cbc.sdf -rw-rw-r-- root/root 4502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2acl_l05.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2acl_rea.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2acx_anp.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ada_hpr.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2adm_sam.sdf -rw-rw-r-- root/root 1965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2adu_r20.sdf -rw-rw-r-- root/root 5940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aei_03r.sdf -rw-rw-r-- root/root 3672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ael_saz.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2af9_dao.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2af9_ola.sdf -rw-rw-r-- root/root 2869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2afu_bgt.sdf -rw-rw-r-- root/root 2024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2afw_ahn.sdf -rw-rw-r-- root/root 2047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2afx_1bn.sdf -rw-rw-r-- root/root 1336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2afz_nvi.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ag1_tpp.sdf -rw-rw-r-- root/root 3325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ag2_ch5.sdf -rw-rw-r-- root/root 7933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ag2_lp3.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ag2_ola.sdf -rw-rw-r-- root/root 2127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ag6_4bf.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ag9_myr.sdf -rw-rw-r-- root/root 5338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2agd_udh.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2agp_dgt.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2agq_dtp.sdf -rw-rw-r-- root/root 3406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2agv_bhq.sdf -rw-rw-r-- root/root 11403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2agv_pty.sdf -rw-rw-r-- root/root 8569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2agv_tg1.sdf -rw-rw-r-- root/root 2220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2agw_tss.sdf -rw-rw-r-- root/root 7557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ah9_cto.sdf -rw-rw-r-- root/root 5338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ah9_udh.sdf -rw-rw-r-- root/root 1805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ahc_vnl.sdf -rw-rw-r-- root/root 4274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ahg_ucd.sdf -rw-rw-r-- root/root 3880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ai1_p1g.sdf -rw-rw-r-- root/root 3787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ai2_p1d.sdf -rw-rw-r-- root/root 3620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ai3_p2g.sdf -rw-rw-r-- root/root 2545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ai7_sb7.sdf -rw-rw-r-- root/root 2545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ai8_sb7.sdf -rw-rw-r-- root/root 3309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aia_sb8.sdf -rw-rw-r-- root/root 6492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aib_erg.sdf -rw-rw-r-- root/root 2557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aie_sb9.sdf -rw-rw-r-- root/root 4300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aio_mx1.sdf -rw-rw-r-- root/root 1584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2air_al0.sdf -rw-rw-r-- root/root 1148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2air_cp.sdf -rw-rw-r-- root/root 2935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aix_u1k.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aj8_sc3.sdf -rw-rw-r-- root/root 2127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2akw_200.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2al1_pep.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2al2_pep.sdf -rw-rw-r-- root/root 1889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2al4_qus.sdf -rw-rw-r-- root/root 2147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2al5_fwd.sdf -rw-rw-r-- root/root 2191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2alw_mnm.sdf -rw-rw-r-- root/root 5304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aly_ysa.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2alz_dcp.sdf -rw-rw-r-- root/root 4602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2amb_17h.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2amt_gpp.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2an2_h4b.sdf -rw-rw-r-- root/root 2298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2an3_ctl.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2an3_sah.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2an4_otr.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2an4_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2an5_sah.sdf -rw-rw-r-- root/root 2307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2an5_ttl.sdf -rw-rw-r-- root/root 6287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ank_n12.sdf -rw-rw-r-- root/root 5862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2anm_cdo.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ano_817.sdf -rw-rw-r-- root/root 4149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2anq_c1a.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ans_2an.sdf -rw-rw-r-- root/root 1687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2anw_bam.sdf -rw-rw-r-- root/root 9099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aob_s1s.sdf -rw-rw-r-- root/root 3617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aot_2pm.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aot_sah.sdf -rw-rw-r-- root/root 4273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aou_cqa.sdf -rw-rw-r-- root/root 2506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aov_4di.sdf -rw-rw-r-- root/root 2515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aov_c2m.sdf -rw-rw-r-- root/root 2675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aow_tha.sdf -rw-rw-r-- root/root 2812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aq7_tl5.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aq8_nai.sdf -rw-rw-r-- root/root 2292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aqb_tl6.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aqh_nai.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aqk_nai.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ar9_mlt.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aru_atp.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2asd_dcp.sdf -rw-rw-r-- root/root 13701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2asm_rga.sdf -rw-rw-r-- root/root 13535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2aso_spx.sdf -rw-rw-r-- root/root 12982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2asp_rgc.sdf -rw-rw-r-- root/root 5222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ath_3ea.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ati_ihu.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2atj_bho.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2atl_dcp.sdf -rw-rw-r-- root/root 1417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ato_myq.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2avi_btn.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2awh_vca.sdf -rw-rw-r-- root/root 3903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ax7_fhm.sdf -rw-rw-r-- root/root 3903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ax8_fhm.sdf -rw-rw-r-- root/root 2915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ax9_bhm.sdf -rw-rw-r-- root/root 3903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2axa_fhm.sdf -rw-rw-r-- root/root 2120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ay1_ahc.sdf -rw-rw-r-- root/root 2437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ay2_cxp.sdf -rw-rw-r-- root/root 2652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ay3_mpp.sdf -rw-rw-r-- root/root 2203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ay4_ppt.sdf -rw-rw-r-- root/root 2319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ay5_iop.sdf -rw-rw-r-- root/root 2577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ay6_3ib.sdf -rw-rw-r-- root/root 2265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ay7_clt.sdf -rw-rw-r-- root/root 1939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ay8_4tb.sdf -rw-rw-r-- root/root 2459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ay9_5pv.sdf -rw-rw-r-- root/root 3794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ayp_43a.sdf -rw-rw-r-- root/root 6342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ayw_ono.sdf -rw-rw-r-- root/root 6543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2az5_307.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2azr_982.sdf -rw-rw-r-- root/root 6161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2azy_chd.sdf -rw-rw-r-- root/root 7139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2azz_tch.sdf -rw-rw-r-- root/root 6775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b00_gch.sdf -rw-rw-r-- root/root 7045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b03_tud.sdf -rw-rw-r-- root/root 6149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b04_cho.sdf -rw-rw-r-- root/root 5599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b07_598.sdf -rw-rw-r-- root/root 3600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b0m_201.sdf -rw-rw-r-- root/root 7873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b0q_nmy.sdf -rw-rw-r-- root/root 3073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b1g_13a.sdf -rw-rw-r-- root/root 3532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b1i_93a.sdf -rw-rw-r-- root/root 5565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b1p_aiz.sdf -rw-rw-r-- root/root 3536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b36_5pp.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b36_nad.sdf -rw-rw-r-- root/root 4316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b37_8ps.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b37_nad.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b3v_aco.sdf -rw-rw-r-- root/root 3621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b4b_b33.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b4b_coa.sdf -rw-rw-r-- root/root 4955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b52_d42.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b53_d23.sdf -rw-rw-r-- root/root 4181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b54_d05.sdf -rw-rw-r-- root/root 5618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b55_d31.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b58_coa.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b65_mal.sdf -rw-rw-r-- root/root 3812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b6a_t50.sdf -rw-rw-r-- root/root 2444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b77_3ca.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b7a_iza.sdf -rw-rw-r-- root/root 5771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b7d_c1b.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b7n_ntm.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b7o_pep.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b7p_pht.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b7q_ncn.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b82_adn.sdf -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b8j_spm.sdf -rw-rw-r-- root/root 4829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b8o_0gj.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b96_ann.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b99_rdl.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2b9j_adp.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2baj_1pp.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bal_pqa.sdf -rw-rw-r-- root/root 4671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ban_357.sdf -rw-rw-r-- root/root 2325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bb7_qms.sdf -rw-rw-r-- root/root 2088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bbf_344.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bcg_gdp.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bcg_ger.sdf -rw-rw-r-- root/root 1249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bcr_ppv.sdf -rw-rw-r-- root/root 1249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bcu_ppv.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bcv_ttp.sdf -rw-rw-r-- root/root 5549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bdf_24a.sdf -rw-rw-r-- root/root 5822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bdj_het.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bdm_tmi.sdf -rw-rw-r-- root/root 5658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bdy_unb.sdf -rw-rw-r-- root/root 4208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2be2_r22.sdf -rw-rw-r-- root/root 5540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bed_736.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bed_fpp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bef_adp.sdf -rw-rw-r-- root/root 8132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bel_cbo.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2beo_pg4.sdf -rw-rw-r-- root/root 2203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bes_res.sdf -rw-rw-r-- root/root 2033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bet_dez.sdf -rw-rw-r-- root/root 5187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2beu_thv.sdf -rw-rw-r-- root/root 5447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bev_thy.sdf -rw-rw-r-- root/root 5316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bew_thw.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bf7_hbi.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bfa_cb3.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bfb_tdp.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bfc_tzd.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bfd_tdp.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bfe_tdp.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bff_tzd.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bfm_top.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bfp_h4b.sdf -rw-rw-r-- root/root 6273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bfy_h1n.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bgc_dtu.sdf -rw-rw-r-- root/root 3322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bgd_t1d.sdf -rw-rw-r-- root/root 2071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bge_t2d.sdf -rw-rw-r-- root/root 6555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bgl_naj.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bhb_mrd.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bhh_ryu.sdf -rw-rw-r-- root/root 6609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bhi_c10.sdf -rw-rw-r-- root/root 13620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bhi_sft.sdf -rw-rw-r-- root/root 3194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bhj_fc1.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bhj_hbi.sdf -rw-rw-r-- root/root 10013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bhw_lux.sdf -rw-rw-r-- root/root 6570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2biw_3on.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bix_c8e.sdf -rw-rw-r-- root/root 6064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bjf_dxc.sdf -rw-rw-r-- root/root 2220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bjh_fer.sdf -rw-rw-r-- root/root 2342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bjm_anf.sdf -rw-rw-r-- root/root 7918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bju_ih4.sdf -rw-rw-r-- root/root 6858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bkt_rpf.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bku_gtp.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bkv_pga.sdf -rw-rw-r-- root/root 2643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bkx_f6r.sdf -rw-rw-r-- root/root 6924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bl2_umq.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bl9_cp6.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bla_cp6.sdf -rw-rw-r-- root/root 2757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2blb_cp7.sdf -rw-rw-r-- root/root 2757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2blc_cp7.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bln_u5p.sdf -rw-rw-r-- root/root 5344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bm2_pm2.sdf -rw-rw-r-- root/root 6181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bmc_mpy.sdf -rw-rw-r-- root/root 5815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bmg_i1h.sdf -rw-rw-r-- root/root 4221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bml_xed.sdf -rw-rw-r-- root/root 5517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bok_784.sdf -rw-rw-r-- root/root 4151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bow_p4p.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bpf_dct.sdf -rw-rw-r-- root/root 5837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bq6_iib.sdf -rw-rw-r-- root/root 5507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bq7_iid.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bqp_glc.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bqr_dtp.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bqu_dad.sdf -rw-rw-r-- root/root 7481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bqv_a1a.sdf -rw-rw-r-- root/root 5533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bqw_iie.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bqz_sah.sdf -rw-rw-r-- root/root 4595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2br1_pfp.sdf -rw-rw-r-- root/root 1316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2br6_hsl.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2brb_pfq.sdf -rw-rw-r-- root/root 4221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2brc_ct5.sdf -rw-rw-r-- root/root 3949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bre_kj2.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2brg_dfy.sdf -rw-rw-r-- root/root 3804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2brh_dfw.sdf -rw-rw-r-- root/root 3961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2brm_dfz.sdf -rw-rw-r-- root/root 4221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2brn_df1.sdf -rw-rw-r-- root/root 4315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bro_df2.sdf -rw-rw-r-- root/root 6142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2brp_sie.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2brt_nar.sdf -rw-rw-r-- root/root 1060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2brv_mla.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bsm_bsm.sdf -rw-rw-r-- root/root 4221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bt0_ct5.sdf -rw-rw-r-- root/root 3979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bt4_ca2.sdf -rw-rw-r-- root/root 4280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bu2_tf1.sdf -rw-rw-r-- root/root 4550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bu6_tf2.sdf -rw-rw-r-- root/root 4512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bu7_tf3.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bu9_hfv.sdf -rw-rw-r-- root/root 2724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bua_007.sdf -rw-rw-r-- root/root 4894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bub_fpb.sdf -rw-rw-r-- root/root 4374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2buc_008.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2buj_stu.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bup_adp.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2buq_caq.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bur_phb.sdf -rw-rw-r-- root/root 1552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2buu_4nc.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2buv_dhb.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2buw_phb.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2buy_caq.sdf -rw-rw-r-- root/root 1552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2buz_4nc.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bv0_dhb.sdf -rw-rw-r-- root/root 9949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bv7_gm3.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bvc_adp.sdf -rw-rw-r-- root/root 3973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bvd_isx.sdf -rw-rw-r-- root/root 5048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bve_ph5.sdf -rw-rw-r-- root/root 8233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bvn_enx.sdf -rw-rw-r-- root/root 4290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bvr_4cp.sdf -rw-rw-r-- root/root 6143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bvs_2ce.sdf -rw-rw-r-- root/root 5036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bvx_5cb.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bww_mrd.sdf -rw-rw-r-- root/root 3660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bx8_azq.sdf -rw-rw-r-- root/root 3000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxa_c1f.sdf -rw-rw-r-- root/root 4016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxb_opb.sdf -rw-rw-r-- root/root 3924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxc_p1z.sdf -rw-rw-r-- root/root 3590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxd_rwf.sdf -rw-rw-r-- root/root 2456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxe_1fl.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxf_dzp.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxg_ibp.sdf -rw-rw-r-- root/root 1982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxh_ios.sdf -rw-rw-r-- root/root 3660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxi_azq.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxi_myr.sdf -rw-rw-r-- root/root 3660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxk_azq.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxk_imn.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxk_myr.sdf -rw-rw-r-- root/root 1534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxl_diu.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxl_myr.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxm_imn.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxm_myr.sdf -rw-rw-r-- root/root 4435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxn_idb.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxn_myr.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxo_myr.sdf -rw-rw-r-- root/root 4016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxo_opb.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxp_myr.sdf -rw-rw-r-- root/root 3924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxp_p1z.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxq_imn.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxq_myr.sdf -rw-rw-r-- root/root 3924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxq_p1z.sdf -rw-rw-r-- root/root 5606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxt_c2d.sdf -rw-rw-r-- root/root 5510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxu_c1d.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bxv_3ft.sdf -rw-rw-r-- root/root 12148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2by4_ad4.sdf -rw-rw-r-- root/root 3703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2byh_2d7.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2byi_2dd.sdf -rw-rw-r-- root/root 4184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bz5_ab4.sdf -rw-rw-r-- root/root 4911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bz6_346.sdf -rw-rw-r-- root/root 7911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2bzz_ap5.sdf -rw-rw-r-- root/root 4352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c05_b4p.sdf -rw-rw-r-- root/root 7518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c0i_l1g.sdf -rw-rw-r-- root/root 7705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c0o_l2g.sdf -rw-rw-r-- root/root 7175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c0t_l3g.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c12_fad.sdf -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c12_spm.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c1a_i5s.sdf -rw-rw-r-- root/root 4671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c1b_cqp.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c1x_b3p.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c1x_udp.sdf -rw-rw-r-- root/root 2910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c1z_kmp.sdf -rw-rw-r-- root/root 5389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c1z_u2f.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c22_dgt.sdf -rw-rw-r-- root/root 3169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c29_dqh.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c2d_dtp.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c2e_dcp.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c2r_dct.sdf -rw-rw-r-- root/root 2883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c2w_5cd.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c31_adp.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c31_tzd.sdf -rw-rw-r-- root/root 1226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c3c_com.sdf -rw-rw-r-- root/root 1226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c3d_com.sdf -rw-rw-r-- root/root 3782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c3i_iyz.sdf -rw-rw-r-- root/root 3996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c3k_abo.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c3m_tpp.sdf -rw-rw-r-- root/root 5259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c3p_1tp.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c3q_gtx.sdf -rw-rw-r-- root/root 4226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c3u_2tp.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c3u_pyr.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c42_pyr.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c42_tpp.sdf -rw-rw-r-- root/root 3062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c47_5id.sdf -rw-rw-r-- root/root 6944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c4f_gil.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c4h_at3.sdf -rw-rw-r-- root/root 4873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c4j_gso.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c4t_sa8.sdf -rw-rw-r-- root/root 3106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c4w_gaj.sdf -rw-rw-r-- root/root 2032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c57_fa1.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c58_at3.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c58_etm.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c5g_etm.sdf -rw-rw-r-- root/root 2874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c5h_3d1.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c6c_24i.sdf -rw-rw-r-- root/root 6369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c6e_hpm.sdf -rw-rw-r-- root/root 4565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c6i_dt1.sdf -rw-rw-r-- root/root 4388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c6k_dt2.sdf -rw-rw-r-- root/root 4564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c6l_dt4.sdf -rw-rw-r-- root/root 5381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c6n_lpr.sdf -rw-rw-r-- root/root 2268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c6z_cir.sdf -rw-rw-r-- root/root 7368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c7x_nrb.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c80_gtx.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c81_pmp.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c8a_nca.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c8c_adp.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c8c_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c8f_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c8h_nad.sdf -rw-rw-r-- root/root 2271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c8m_lpa.sdf -rw-rw-r-- root/root 5074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c92_tp6.sdf -rw-rw-r-- root/root 5000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c94_tsf.sdf -rw-rw-r-- root/root 2760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c97_jcl.sdf -rw-rw-r-- root/root 3223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c9b_pug.sdf -rw-rw-r-- root/root 5334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c9d_phr.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c9z_que.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2c9z_udp.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ca8_gsh.sdf -rw-rw-r-- root/root 1141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cbi_gbl.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cbj_oan.sdf -rw-rw-r-- root/root 5403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cbo_th2.sdf -rw-rw-r-- root/root 5403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cbq_th2.sdf -rw-rw-r-- root/root 4622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cbr_a80.sdf -rw-rw-r-- root/root 4928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cbs_r13.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cbu_cts.sdf -rw-rw-r-- root/root 2295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cbv_cgb.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cbx_cc5.sdf -rw-rw-r-- root/root 2873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cc2_5ad.sdf -rw-rw-r-- root/root 2624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cc7_lum.sdf -rw-rw-r-- root/root 2884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ccc_lfn.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ccg_tmp.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ccj_tmp.sdf -rw-rw-r-- root/root 4116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cct_2e1.sdf -rw-rw-r-- root/root 4941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ccu_2d9.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cd2_fol.sdf -rw-rw-r-- root/root 6661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cd8_pxi.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cdz_23d.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ce2_gdp.sdf -rw-rw-r-- root/root 7751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cej_1ah.sdf -rw-rw-r-- root/root 7126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cek_n8t.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ceo_t44.sdf -rw-rw-r-- root/root 2500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ceq_gim.sdf -rw-rw-r-- root/root 3927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cer_pgi.sdf -rw-rw-r-- root/root 2500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ces_gim.sdf -rw-rw-r-- root/root 3927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cet_pgi.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cex_dan.sdf -rw-rw-r-- root/root 5712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cf8_esh.sdf -rw-rw-r-- root/root 6054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cf9_348.sdf -rw-rw-r-- root/root 2152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cfi_zzz.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cg9_atp.sdf -rw-rw-r-- root/root 3825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cgf_p2n.sdf -rw-rw-r-- root/root 1149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cgo_fum.sdf -rw-rw-r-- root/root 3533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cgu_3a3.sdf -rw-rw-r-- root/root 1772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cha_tsu.sdf -rw-rw-r-- root/root 3824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2chl_dki.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2chm_3p4.sdf -rw-rw-r-- root/root 2480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2chn_ngt.sdf -rw-rw-r-- root/root 2585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cht_tsa.sdf -rw-rw-r-- root/root 4287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2chw_039.sdf -rw-rw-r-- root/root 3916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2chx_090.sdf -rw-rw-r-- root/root 3683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2chz_093.sdf -rw-rw-r-- root/root 3120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ci0_1cm.sdf -rw-rw-r-- root/root 1562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ci5_hcs.sdf -rw-rw-r-- root/root 4078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cib_cm6.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cj9_ssa.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cja_atp.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cjc_fad.sdf -rw-rw-r-- root/root 3948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cjf_rp4.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cjg_pmp.sdf -rw-rw-r-- root/root 5014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cji_gsk.sdf -rw-rw-r-- root/root 2667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cjz_ptr.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cke_iqu.sdf -rw-rw-r-- root/root 6941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ckm_aa7.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cko_dtt.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ckp_adp.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ckq_pc.sdf -rw-rw-r-- root/root 2644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cl5_bie.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cl5_sam.sdf -rw-rw-r-- root/root 6087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cl6_cag.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cl7_gtp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cld_gdp.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2clk_g3h.sdf -rw-rw-r-- root/root 3224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2clo_f19.sdf -rw-rw-r-- root/root 3547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2clo_pls.sdf -rw-rw-r-- root/root 5456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cm7_izd.sdf -rw-rw-r-- root/root 2082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cm8_f16.sdf -rw-rw-r-- root/root 6105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cma_f20.sdf -rw-rw-r-- root/root 7044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cmb_f17.sdf -rw-rw-r-- root/root 5187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cmc_dfm.sdf -rw-rw-r-- root/root 6421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cmf_f11.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cml_zmr.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cmw_olp.sdf -rw-rw-r-- root/root 5379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cn0_f25.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cn5_adp.sdf -rw-rw-r-- root/root 2701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cn8_dbq.sdf -rw-rw-r-- root/root 6837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cne_dfj.sdf -rw-rw-r-- root/root 5169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cnf_f32.sdf -rw-rw-r-- root/root 4818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cng_ize.sdf -rw-rw-r-- root/root 6134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cnh_izb.sdf -rw-rw-r-- root/root 7347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cni_izf.sdf -rw-rw-r-- root/root 3391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cnq_amz.sdf -rw-rw-r-- root/root 4486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cnv_sss.sdf -rw-rw-r-- root/root 1814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cog_4mv.sdf -rw-rw-r-- root/root 2618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2coj_gbn.sdf -rw-rw-r-- root/root 2776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2csn_cki.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ctc_hfa.sdf -rw-rw-r-- root/root 4984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cvd_hql.sdf -rw-rw-r-- root/root 2034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cxo_der.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cxp_a5p.sdf -rw-rw-r-- root/root 2809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cxq_s6p.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cxr_6pg.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cxs_f6p.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cy6_tre.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2cyf_mal.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d06_est.sdf -rw-rw-r-- root/root 1818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d0e_nq.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d0k_fol.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d0t_pim.sdf -rw-rw-r-- root/root 4470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d1j_d01.sdf -rw-rw-r-- root/root 6666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d1n_fa4.sdf -rw-rw-r-- root/root 6666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d1o_fa4.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d1q_amp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d1r_amp.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d1r_olu.sdf -rw-rw-r-- root/root 5397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d1s_slu.sdf -rw-rw-r-- root/root 1305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d2g_dzz.sdf -rw-rw-r-- root/root 1561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d2h_tzz.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d3a_adp.sdf -rw-rw-r-- root/root 2547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d3a_p3s.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d3b_anp.sdf -rw-rw-r-- root/root 3804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d3u_cct.sdf -rw-rw-r-- root/root 3710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d3z_fih.sdf -rw-rw-r-- root/root 4147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d41_snh.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d5c_skm.sdf -rw-rw-r-- root/root 3763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d5x_l35.sdf -rw-rw-r-- root/root 3763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d5z_l35.sdf -rw-rw-r-- root/root 3763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d60_l35.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d7c_gtp.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d7f_mma.sdf -rw-rw-r-- root/root 4274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2d8l_ucd.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2daa_dcs.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dap_api.sdf -rw-rw-r-- root/root 3168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dcm_ga0.sdf -rw-rw-r-- root/root 1311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dcy_dio.sdf -rw-rw-r-- root/root 1503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dcy_tar.sdf -rw-rw-r-- root/root 5842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ddf_inn.sdf -rw-rw-r-- root/root 1954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ddw_pxl.sdf -rw-rw-r-- root/root 2433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2de3_obp.sdf -rw-rw-r-- root/root 2340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2de4_bps.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dft_adp.sdf -rw-rw-r-- root/root 12774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dg4_rap.sdf -rw-rw-r-- root/root 12774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dg9_rap.sdf -rw-rw-r-- root/root 4757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dhf_dzf.sdf -rw-rw-r-- root/root 2150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dhn_ph2.sdf -rw-rw-r-- root/root 4870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dio_eod.sdf -rw-rw-r-- root/root 3184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dkc_16g.sdf -rw-rw-r-- root/root 3184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dkd_ng1.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dln_adp.sdf -rw-rw-r-- root/root 2766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dln_phy.sdf -rw-rw-r-- root/root 2507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dm5_odi.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dm6_imn.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2doj_adn.sdf -rw-rw-r-- root/root 4869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2doo_c4h.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dpi_dcp.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dpj_ttp.sdf -rw-rw-r-- root/root 5705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dpt_puy.sdf -rw-rw-r-- root/root 1853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dpz_tyl.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dq0_ssa.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dq7_stu.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dqz_plm.sdf -rw-rw-r-- root/root 7139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dr0_tch.sdf -rw-rw-r-- root/root 6197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dr6_dm2.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2drc_mtx.sdf -rw-rw-r-- root/root 4705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ds1_1cd.sdf -rw-rw-r-- root/root 1847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dsf_lxc.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2du8_bez.sdf -rw-rw-r-- root/root 657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dua_oxl.sdf -rw-rw-r-- root/root 4150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2duv_371.sdf -rw-rw-r-- root/root 3828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dux_zst.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dvc_suc.sdf -rw-rw-r-- root/root 1377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dvs_aly.sdf -rw-rw-r-- root/root 5056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dw1_gm6.sdf -rw-rw-r-- root/root 5837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dwd_l2c.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dwi_cbi.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dwp_acp.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dxr_sor.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dxy_tre.sdf -rw-rw-r-- root/root 3389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dy5_224.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2dyx_lak.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e0a_anp.sdf -rw-rw-r-- root/root 2013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e0s_ram.sdf -rw-rw-r-- root/root 1846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e1s_ara.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e1w_fr6.sdf -rw-rw-r-- root/root 1454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e25_fot.sdf -rw-rw-r-- root/root 6651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e2b_406.sdf -rw-rw-r-- root/root 3015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e2r_2oh.sdf -rw-rw-r-- root/root 6594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e3n_6cm.sdf -rw-rw-r-- root/root 9194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e3p_16c.sdf -rw-rw-r-- root/root 9714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e3q_18c.sdf -rw-rw-r-- root/root 2032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e40_lgc.sdf -rw-rw-r-- root/root 1137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e49_mh6.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e4a_be2.sdf -rw-rw-r-- root/root 2142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e4v_2cg.sdf -rw-rw-r-- root/root 2119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e4w_c5a.sdf -rw-rw-r-- root/root 2119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e4x_c5b.sdf -rw-rw-r-- root/root 2037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e4y_52a.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e5c_prp.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e5d_nca.sdf -rw-rw-r-- root/root 1610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e68_dor.sdf -rw-rw-r-- root/root 1443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e6a_oro.sdf -rw-rw-r-- root/root 1149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e6d_fum.sdf -rw-rw-r-- root/root 1526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e6f_oxc.sdf -rw-rw-r-- root/root 2138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e82_im3.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e8a_anp.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e8t_fps.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e8t_ipe.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e8u_ipe.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e8v_grg.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e8w_ipe.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e8x_gpp.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e90_fpp.sdf -rw-rw-r-- root/root 1249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e90_ppv.sdf -rw-rw-r-- root/root 2417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e91_zol.sdf -rw-rw-r-- root/root 2954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e92_m0n.sdf -rw-rw-r-- root/root 4439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e93_b29.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e94_364.sdf -rw-rw-r-- root/root 1512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e95_b75.sdf -rw-rw-r-- root/root 4439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e98_b29.sdf -rw-rw-r-- root/root 4498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e99_b08.sdf -rw-rw-r-- root/root 4498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e9a_b28.sdf -rw-rw-r-- root/root 1512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e9c_b75.sdf -rw-rw-r-- root/root 4592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e9d_b76.sdf -rw-rw-r-- root/root 5674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e9n_76a.sdf -rw-rw-r-- root/root 5191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e9o_a58.sdf -rw-rw-r-- root/root 4362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e9p_77a.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e9u_a25.sdf -rw-rw-r-- root/root 5140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2e9v_85a.sdf -rw-rw-r-- root/root 3580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ea2_f77.sdf -rw-rw-r-- root/root 4111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ea4_f79.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2eak_lbt.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2eat_cza.sdf -rw-rw-r-- root/root 8569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2eat_tg1.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2eau_cza.sdf -rw-rw-r-- root/root 11403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2eau_pty.sdf -rw-rw-r-- root/root 5793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ec9_24x.sdf -rw-rw-r-- root/root 4200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2eep_aio.sdf -rw-rw-r-- root/root 2470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ef6_mdm.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2eft_coa.sdf -rw-rw-r-- root/root 1799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2eg7_otd.sdf -rw-rw-r-- root/root 1454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2eg8_fot.sdf -rw-rw-r-- root/root 1931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2egh_fom.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ehz_mct.sdf -rw-rw-r-- root/root 2245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ei0_bp7.sdf -rw-rw-r-- root/root 1881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ei1_d1n.sdf -rw-rw-r-- root/root 1950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ei3_bpy.sdf -rw-rw-r-- root/root 5295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ei6_d92.sdf -rw-rw-r-- root/root 4949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2el9_hss.sdf -rw-rw-r-- root/root 5056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2erp_gm6.sdf -rw-rw-r-- root/root 3481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2erz_hfs.sdf -rw-rw-r-- root/root 7159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2esa_gdm.sdf -rw-rw-r-- root/root 3394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2esm_m77.sdf -rw-rw-r-- root/root 4899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2est_2z5.sdf -rw-rw-r-- root/root 3481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2etk_hfs.sdf -rw-rw-r-- root/root 4334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2etm_7py.sdf -rw-rw-r-- root/root 3534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2etr_y27.sdf -rw-rw-r-- root/root 5647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2euf_lqq.sdf -rw-rw-r-- root/root 2831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2eum_d10.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2eva_adn.sdf -rw-rw-r-- root/root 2355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2evc_fc3.sdf -rw-rw-r-- root/root 2831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2evd_d10.sdf -rw-rw-r-- root/root 2087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2evm_fc2.sdf -rw-rw-r-- root/root 2666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2evo_ct0.sdf -rw-rw-r-- root/root 2831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2evs_d10.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2evs_hex.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2evt_hex.sdf -rw-rw-r-- root/root 3651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ewb_zed.sdf -rw-rw-r-- root/root 5590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ewp_txf.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ews_anp.sdf -rw-rw-r-- root/root 6362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ewy_dbo.sdf -rw-rw-r-- root/root 5105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2exc_jnk.sdf -rw-rw-r-- root/root 7159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2exl_gdm.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ez4_tpp.sdf -rw-rw-r-- root/root 5025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ez8_tdl.sdf -rw-rw-r-- root/root 5461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ez9_tdk.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ezt_tdm.sdf -rw-rw-r-- root/root 4580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ezu_htl.sdf -rw-rw-r-- root/root 5488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f0y_3mn.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f0y_fpp.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f0z_zmr.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f10_bcz.sdf -rw-rw-r-- root/root 3436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f11_iem.sdf -rw-rw-r-- root/root 3270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f12_htm.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f13_dym.sdf -rw-rw-r-- root/root 4390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f17_pyi.sdf -rw-rw-r-- root/root 3440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f18_gb1.sdf -rw-rw-r-- root/root 3440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f1a_gb2.sdf -rw-rw-r-- root/root 3700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f1b_gb3.sdf -rw-rw-r-- root/root 5777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f1g_gnf.sdf -rw-rw-r-- root/root 3461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f1o_dtc.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f21_1pe.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f25_dan.sdf -rw-rw-r-- root/root 4889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f2c_ap9.sdf -rw-rw-r-- root/root 4848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f2h_xtg.sdf -rw-rw-r-- root/root 4448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f2k_tgg.sdf -rw-rw-r-- root/root 3394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f2u_m77.sdf -rw-rw-r-- root/root 3581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f34_uba.sdf -rw-rw-r-- root/root 3582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f35_ubc.sdf -rw-rw-r-- root/root 5977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f38_15m.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f3d_amp.sdf -rw-rw-r-- root/root 6370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f4b_eha.sdf -rw-rw-r-- root/root 5555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f4j_vx6.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f57_23d.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f59_ini.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f69_sah.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f6t_1c2.sdf -rw-rw-r-- root/root 4562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f6v_sk2.sdf -rw-rw-r-- root/root 2594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f6w_un3.sdf -rw-rw-r-- root/root 5277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f6z_un5.sdf -rw-rw-r-- root/root 4287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f70_un6.sdf -rw-rw-r-- root/root 5021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f71_un7.sdf -rw-rw-r-- root/root 4770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f7e_2ea.sdf -rw-rw-r-- root/root 2189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f7o_msn.sdf -rw-rw-r-- root/root 3356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f7p_2sk.sdf -rw-rw-r-- root/root 1930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f7q_aol.sdf -rw-rw-r-- root/root 3095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f7r_sk3.sdf -rw-rw-r-- root/root 4571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f7x_4ea.sdf -rw-rw-r-- root/root 4696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f7z_6ea.sdf -rw-rw-r-- root/root 2569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f8i_205.sdf -rw-rw-r-- root/root 4774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f8p_cei.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f90_3pg.sdf -rw-rw-r-- root/root 2172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f92_ahd.sdf -rw-rw-r-- root/root 3762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f94_bfq.sdf -rw-rw-r-- root/root 3910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f98_ngv.sdf -rw-rw-r-- root/root 4750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f99_akv.sdf -rw-rw-r-- root/root 4290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2f9b_n1h.sdf -rw-rw-r-- root/root 6081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2faf_20s.sdf -rw-rw-r-- root/root 5566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fb8_215.sdf -rw-rw-r-- root/root 5835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fbr_44c.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fbz_h2b.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fc1_hbi.sdf -rw-rw-r-- root/root 4875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fdc_flq.sdf -rw-rw-r-- root/root 2671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fdu_d1g.sdf -rw-rw-r-- root/root 2411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fdv_d2g.sdf -rw-rw-r-- root/root 2151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fdw_d3g.sdf -rw-rw-r-- root/root 2070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fdy_d4g.sdf -rw-rw-r-- root/root 2714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fg6_sn0.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fgb_p6g.sdf -rw-rw-r-- root/root 7069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fgi_pd1.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fhl_bni.sdf -rw-rw-r-- root/root 2747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fhy_a37.sdf -rw-rw-r-- root/root 4262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fie_a74.sdf -rw-rw-r-- root/root 4199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fim_3dp.sdf -rw-rw-r-- root/root 4169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fix_870.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fjk_13p.sdf -rw-rw-r-- root/root 6498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fjm_073.sdf -rw-rw-r-- root/root 5106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fjp_s14.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fju_gsp.sdf -rw-rw-r-- root/root 4915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fky_n2t.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fl2_n4t.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fl6_n5t.sdf -rw-rw-r-- root/root 3532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2flb_6nh.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fll_ttp.sdf -rw-rw-r-- root/root 6355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2flm_6ca.sdf -rw-rw-r-- root/root 4149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2flr_7nh.sdf -rw-rw-r-- root/root 5194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fm0_m98.sdf -rw-rw-r-- root/root 5194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fm5_m99.sdf -rw-rw-r-- root/root 10382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fmb_lp1.sdf -rw-rw-r-- root/root 4354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fme_3qc.sdf -rw-rw-r-- root/root 4916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fmn_4hf.sdf -rw-rw-r-- root/root 4048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fmq_dup.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fo0_myr.sdf -rw-rw-r-- root/root 3678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2foy_b30.sdf -rw-rw-r-- root/root 2585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fp2_tsa.sdf -rw-rw-r-- root/root 1503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fp9_tar.sdf -rw-rw-r-- root/root 2220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fpb_tss.sdf -rw-rw-r-- root/root 4621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fpc_scg.sdf -rw-rw-r-- root/root 4085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fpt_ilb.sdf -rw-rw-r-- root/root 3712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fpv_ilc.sdf -rw-rw-r-- root/root 3753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fpy_ilf.sdf -rw-rw-r-- root/root 1610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fpz_270.sdf -rw-rw-r-- root/root 4671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fq6_p3f.sdf -rw-rw-r-- root/root 3929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fqi_ilh.sdf -rw-rw-r-- root/root 2980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fqo_hyi.sdf -rw-rw-r-- root/root 2981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fqt_h1d.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fr3_rea.sdf -rw-rw-r-- root/root 3018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fr5_tyu.sdf -rw-rw-r-- root/root 2768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fr6_ctn.sdf -rw-rw-r-- root/root 2685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fr6_uri.sdf -rw-rw-r-- root/root 5235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fsz_oht.sdf -rw-rw-r-- root/root 6161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ft9_chd.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ftb_ola.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fto_cb3.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fto_tmp.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fu8_mco.sdf -rw-rw-r-- root/root 3382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fu9_mp2.sdf -rw-rw-r-- root/root 5444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fum_mix.sdf -rw-rw-r-- root/root 4667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fut_h1s.sdf -rw-rw-r-- root/root 5356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fv5_541.sdf -rw-rw-r-- root/root 5979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fv9_002.sdf -rw-rw-r-- root/root 4587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fvc_888.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fvd_lia.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fwy_h64.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fwz_h71.sdf -rw-rw-r-- root/root 9214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fxe_dr7.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fxf_aco.sdf -rw-rw-r-- root/root 1441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fxl_2al.sdf -rw-rw-r-- root/root 4207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fxs_rda.sdf -rw-rw-r-- root/root 10437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fxu_bid.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fyp_pg4.sdf -rw-rw-r-- root/root 1631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fyp_rde.sdf -rw-rw-r-- root/root 3790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fyv_w72.sdf -rw-rw-r-- root/root 3500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fzb_tol.sdf -rw-rw-r-- root/root 2927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fzc_eop.sdf -rw-rw-r-- root/root 3500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fzd_tol.sdf -rw-rw-r-- root/root 3316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fzg_eob.sdf -rw-rw-r-- root/root 4261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fzh_dh1.sdf -rw-rw-r-- root/root 4448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fzi_dh3.sdf -rw-rw-r-- root/root 4448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fzj_dh3.sdf -rw-rw-r-- root/root 3598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2fzk_eoz.sdf -rw-rw-r-- root/root 2619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g01_73q.sdf -rw-rw-r-- root/root 4395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g0e_cgq.sdf -rw-rw-r-- root/root 3827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g0g_sp0.sdf -rw-rw-r-- root/root 4402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g0h_sp3.sdf -rw-rw-r-- root/root 2781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g1a_5hg.sdf -rw-rw-r-- root/root 2616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g1m_4hg.sdf -rw-rw-r-- root/root 4978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g1n_1ig.sdf -rw-rw-r-- root/root 4817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g1o_2ig.sdf -rw-rw-r-- root/root 4725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g1q_n9h.sdf -rw-rw-r-- root/root 4978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g1r_3ig.sdf -rw-rw-r-- root/root 5377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g1s_4ig.sdf -rw-rw-r-- root/root 4965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g1t_112.sdf -rw-rw-r-- root/root 4968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g1y_5ig.sdf -rw-rw-r-- root/root 8763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g20_l1a.sdf -rw-rw-r-- root/root 4457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g21_l1b.sdf -rw-rw-r-- root/root 6117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g22_6ig.sdf -rw-rw-r-- root/root 4117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g24_7ig.sdf -rw-rw-r-- root/root 7232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g27_4lg.sdf -rw-rw-r-- root/root 5461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g28_tdk.sdf -rw-rw-r-- root/root 4965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g2f_112.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g2f_ags.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g2h_p16.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g2i_adp.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g5f_pyr.sdf -rw-rw-r-- root/root 3134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g5n_23m.sdf -rw-rw-r-- root/root 3134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g5v_22m.sdf -rw-rw-r-- root/root 3672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g6p_hm2.sdf -rw-rw-r-- root/root 2522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g70_hnt.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g70_sam.sdf -rw-rw-r-- root/root 3478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g71_fts.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g71_sah.sdf -rw-rw-r-- root/root 3649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g72_f21.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g72_sam.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g78_rea.sdf -rw-rw-r-- root/root 4447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g79_ret.sdf -rw-rw-r-- root/root 2174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g7m_an0.sdf -rw-rw-r-- root/root 2528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g7q_ahl.sdf -rw-rw-r-- root/root 4747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g7y_mo9.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g86_ump.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g89_ump.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g8a_ump.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g8d_ump.sdf -rw-rw-r-- root/root 3671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g8n_f83.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g8n_sah.sdf -rw-rw-r-- root/root 4194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g8r_n3e.sdf -rw-rw-r-- root/root 3134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g8t_mi2.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g8x_dtt.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g93_mma.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g96_nmn.sdf -rw-rw-r-- root/root 5246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g97_dgb.sdf -rw-rw-r-- root/root 5960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2g9x_nu5.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ga2_a19.sdf -rw-rw-r-- root/root 4748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gbi_xih.sdf -rw-rw-r-- root/root 3305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gby_brn.sdf -rw-rw-r-- root/root 2559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gc0_pan.sdf -rw-rw-r-- root/root 2809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gc1_s6p.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gc3_m6p.sdf -rw-rw-r-- root/root 3207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gc8_885.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gcd_stu.sdf -rw-rw-r-- root/root 3707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gcq_doi.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gcq_gdp.sdf -rw-rw-r-- root/root 1232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gcq_hda.sdf -rw-rw-r-- root/root 5249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gd8_po1.sdf -rw-rw-r-- root/root 4781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gdo_12c.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gdu_suc.sdf -rw-rw-r-- root/root 8320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2get_cok.sdf -rw-rw-r-- root/root 4207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gfd_rda.sdf -rw-rw-r-- root/root 3261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gfj_vi.sdf -rw-rw-r-- root/root 3262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gfk_vii.sdf -rw-rw-r-- root/root 5379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gfx_pmn.sdf -rw-rw-r-- root/root 4277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gg0_u11.sdf -rw-rw-r-- root/root 2448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gg2_u12.sdf -rw-rw-r-- root/root 2176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gg3_u13.sdf -rw-rw-r-- root/root 2448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gg5_u19.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gg6_s3p.sdf -rw-rw-r-- root/root 2438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gg7_u14.sdf -rw-rw-r-- root/root 5283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gg8_u15.sdf -rw-rw-r-- root/root 5804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gg9_u16.sdf -rw-rw-r-- root/root 1768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gga_gpj.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gga_s3p.sdf -rw-rw-r-- root/root 5241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ggb_u17.sdf -rw-rw-r-- root/root 1768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ggd_gpj.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ggd_s3p.sdf -rw-rw-r-- root/root 5965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ggu_mlr.sdf -rw-rw-r-- root/root 5221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ggx_npj.sdf -rw-rw-r-- root/root 3540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gh6_cf3.sdf -rw-rw-r-- root/root 5599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ghg_a53.sdf -rw-rw-r-- root/root 5270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ghl_lib.sdf -rw-rw-r-- root/root 5531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ghm_lic.sdf -rw-rw-r-- root/root 4444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2giq_nn2.sdf -rw-rw-r-- root/root 4883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gir_nn3.sdf -rw-rw-r-- root/root 3561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2giu_fbr.sdf -rw-rw-r-- root/root 3258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gj4_2th.sdf -rw-rw-r-- root/root 6385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gj5_vd3.sdf -rw-rw-r-- root/root 2577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gj6_3ib.sdf -rw-rw-r-- root/root 1621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gkl_pd2.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2glm_ben.sdf -rw-rw-r-- root/root 4788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2glm_scb.sdf -rw-rw-r-- root/root 2823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2glp_bde.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2glp_ben.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2glr_gtx.sdf -rw-rw-r-- root/root 6008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gm1_2az.sdf -rw-rw-r-- root/root 3273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gm9_3th.sdf -rw-rw-r-- root/root 7795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gmh_uq5.sdf -rw-rw-r-- root/root 2671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gms_p0p.sdf -rw-rw-r-- root/root 4001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gmu_pdg.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gmv_pep.sdf -rw-rw-r-- root/root 6207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gmv_un8.sdf -rw-rw-r-- root/root 4205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gmx_877.sdf -rw-rw-r-- root/root 3910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gnh_h52.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2go3_myr.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2go3_plm.sdf -rw-rw-r-- root/root 6309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2go4_tux.sdf -rw-rw-r-- root/root 3720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gpp_1ba.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gpt_skm.sdf -rw-rw-r-- root/root 5235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gpu_oht.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gq3_coa.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gq3_mlt.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gqg_1n1.sdf -rw-rw-r-- root/root 4769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gqn_blp.sdf -rw-rw-r-- root/root 1198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gqx_5cl.sdf -rw-rw-r-- root/root 2835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gru_cak.sdf -rw-rw-r-- root/root 2116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gru_exo.sdf -rw-rw-r-- root/root 4965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gs6_112.sdf -rw-rw-r-- root/root 4536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gsq_gbi.sdf -rw-rw-r-- root/root 5635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gst_gps.sdf -rw-rw-r-- root/root 7983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gtb_azp.sdf -rw-rw-r-- root/root 5285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gte_va.sdf -rw-rw-r-- root/root 4941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gtk_208.sdf -rw-rw-r-- root/root 3994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gtm_lid.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gtn_lie.sdf -rw-rw-r-- root/root 2163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gu5_nlp.sdf -rw-rw-r-- root/root 4314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gu8_796.sdf -rw-rw-r-- root/root 6685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gv6_730.sdf -rw-rw-r-- root/root 9204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gv7_672.sdf -rw-rw-r-- root/root 5918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gvd_128.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gvg_nmn.sdf -rw-rw-r-- root/root 5246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gvj_dgb.sdf -rw-rw-r-- root/root 3169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gvv_di9.sdf -rw-rw-r-- root/root 5873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gvz_ona.sdf -rw-rw-r-- root/root 3039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gwc_bsc.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gwh_a3p.sdf -rw-rw-r-- root/root 1748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gyi_hya.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gyu_hi6.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gyv_hbp.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gyw_obi.sdf -rw-rw-r-- root/root 3333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gz7_d3f.sdf -rw-rw-r-- root/root 3126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2gz8_f3f.sdf -rw-rw-r-- root/root 4456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h02_2un.sdf -rw-rw-r-- root/root 5836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h03_3un.sdf -rw-rw-r-- root/root 4869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h04_4un.sdf -rw-rw-r-- root/root 1372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h0f_aza.sdf -rw-rw-r-- root/root 1514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h0j_urn.sdf -rw-rw-r-- root/root 2011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h0t_tem.sdf -rw-rw-r-- root/root 12020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h26_6pl.sdf -rw-rw-r-- root/root 10661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h26_6ul.sdf -rw-rw-r-- root/root 6443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h2i_zpg.sdf -rw-rw-r-- root/root 2481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h3e_6pr.sdf -rw-rw-r-- root/root 2448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h3p_152.sdf -rw-rw-r-- root/root 3942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h3w_hc5.sdf -rw-rw-r-- root/root 5708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h42_via.sdf -rw-rw-r-- root/root 6241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h44_7ca.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h4f_nad.sdf -rw-rw-r-- root/root 2804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h4g_694.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h4h_nad.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h4i_lbt.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h4j_nca.sdf -rw-rw-r-- root/root 5855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h4j_oad.sdf -rw-rw-r-- root/root 2711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h4k_509.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h4t_d12.sdf -rw-rw-r-- root/root 2137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h4z_dg2.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h52_3pg.sdf -rw-rw-r-- root/root 4665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h55_dz8.sdf -rw-rw-r-- root/root 5841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h59_3od.sdf -rw-rw-r-- root/root 2965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h59_apr.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h5l_3dd.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h61_pg4.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h6f_far.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h6g_ger.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h6h_far.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h6i_ger.sdf -rw-rw-r-- root/root 3237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h79_t3.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h7c_coa.sdf -rw-rw-r-- root/root 4949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h7j_h7j.sdf -rw-rw-r-- root/root 4262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h7j_p15.sdf -rw-rw-r-- root/root 1244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h7r_1mz.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h7v_gdp.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h8g_ade.sdf -rw-rw-r-- root/root 6370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h8h_h8h.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h8m_nei.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h8m_pg4.sdf -rw-rw-r-- root/root 4015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h96_893.sdf -rw-rw-r-- root/root 8187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h9i_ead.sdf -rw-rw-r-- root/root 3534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h9v_y27.sdf -rw-rw-r-- root/root 2940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2h9y_naf.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ha3_cht.sdf -rw-rw-r-- root/root 2351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ha4_ach.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ha5_at3.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ha5_etm.sdf -rw-rw-r-- root/root 4460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ha6_sck.sdf -rw-rw-r-- root/root 2879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ha7_bch.sdf -rw-rw-r-- root/root 1295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ha7_bua.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ha7_etm.sdf -rw-rw-r-- root/root 4788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hai_pfi.sdf -rw-rw-r-- root/root 7354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ham_c33.sdf -rw-rw-r-- root/root 7542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2har_occ.sdf -rw-rw-r-- root/root 7448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2has_c3o.sdf -rw-rw-r-- root/root 1809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hb1_512.sdf -rw-rw-r-- root/root 7106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hb3_grl.sdf -rw-rw-r-- root/root 7448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hb7_o1c.sdf -rw-rw-r-- root/root 6834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hb8_mvd.sdf -rw-rw-r-- root/root 2236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hb9_l13.sdf -rw-rw-r-- root/root 5648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hbh_xe4.sdf -rw-rw-r-- root/root 6572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hc4_vdx.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hca_glc.sdf -rw-rw-r-- root/root 7965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hcd_biv.sdf -rw-rw-r-- root/root 3675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hch_n5a.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hcj_gdp.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hck_que.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hct_nmn.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hdq_c21.sdf -rw-rw-r-- root/root 1692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hdr_4a3.sdf -rw-rw-r-- root/root 2141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hds_4mb.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hds_suc.sdf -rw-rw-r-- root/root 1787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hdu_f12.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hen_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hf3_adp.sdf -rw-rw-r-- root/root 4384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hfk_e4h.sdf -rw-rw-r-- root/root 5800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hfp_nsi.sdf -rw-rw-r-- root/root 3592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hg1_n5o.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hg1_pg4.sdf -rw-rw-r-- root/root 3212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hgz_pbf.sdf -rw-rw-r-- root/root 6322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hh5_gnq.sdf -rw-rw-r-- root/root 4377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hha_3tp.sdf -rw-rw-r-- root/root 2137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hhj_dg2.sdf -rw-rw-r-- root/root 6322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hhn_gnq.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hhw_23t.sdf -rw-rw-r-- root/root 3084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hi4_bhf.sdf -rw-rw-r-- root/root 4733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hiw_7mp.sdf -rw-rw-r-- root/root 1802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hj4_pnz.sdf -rw-rw-r-- root/root 1935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hjb_pzm.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hjp_ppr.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hk1_fud.sdf -rw-rw-r-- root/root 5532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hk5_1bm.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hk9_skm.sdf -rw-rw-r-- root/root 6943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hka_c3s.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hkj_rdc.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hl0_a3s.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hl2_ssa.sdf -rw-rw-r-- root/root 3040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hlv_lik.sdf -rw-rw-r-- root/root 2249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hmk_pey.sdf -rw-rw-r-- root/root 2249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hml_pey.sdf -rw-rw-r-- root/root 2249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hmm_an3.sdf -rw-rw-r-- root/root 2249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hmn_an3.sdf -rw-rw-r-- root/root 1626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hmo_3nt.sdf -rw-rw-r-- root/root 2249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hmp_211.sdf -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hmp_spd.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hnx_plm.sdf -rw-rw-r-- root/root 3827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hnz_pc0.sdf -rw-rw-r-- root/root 5219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hog_710.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hox_p1t.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hoz_pmp.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hp1_ea5.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hp2_ke4.sdf -rw-rw-r-- root/root 2367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hpa_pt3.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hpt_bes.sdf -rw-rw-r-- root/root 6161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hrc_chd.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hrd_tdr.sdf -rw-rw-r-- root/root 3205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hs3_fgr.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hsd_nad.sdf -rw-rw-r-- root/root 1318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hse_pct.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ht8_g39.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2htq_zmr.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2htr_dan.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2htu_bcz.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hu4_g39.sdf -rw-rw-r-- root/root 4484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hu6_37a.sdf -rw-rw-r-- root/root 5973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2huw_yvn.sdf -rw-rw-r-- root/root 3273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hvc_lgd.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hvh_dct.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hvi_dct.sdf -rw-rw-r-- root/root 5837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hvk_l2c.sdf -rw-rw-r-- root/root 4002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hvx_drx.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hw1_anp.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hw7_stu.sdf -rw-rw-r-- root/root 3509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hwh_rna.sdf -rw-rw-r-- root/root 3791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hwi_vrx.sdf -rw-rw-r-- root/root 6378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hwq_dry.sdf -rw-rw-r-- root/root 2685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hwu_uri.sdf -rw-rw-r-- root/root 3519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hx2_3hx.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hx2_h4b.sdf -rw-rw-r-- root/root 4176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hx4_4hx.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hx4_h4b.sdf -rw-rw-r-- root/root 1575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hxc_abn.sdf -rw-rw-r-- root/root 4844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hxl_422.sdf -rw-rw-r-- root/root 3602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hxm_302.sdf -rw-rw-r-- root/root 5015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hxq_373.sdf -rw-rw-r-- root/root 1749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hxt_ehm.sdf -rw-rw-r-- root/root 2187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hxu_lfc.sdf -rw-rw-r-- root/root 4949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hxz_h7j.sdf -rw-rw-r-- root/root 5219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hy0_306.sdf -rw-rw-r-- root/root 5544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hy8_1st.sdf -rw-rw-r-- root/root 4852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hz0_gin.sdf -rw-rw-r-- root/root 5958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hz4_4st.sdf -rw-rw-r-- root/root 4096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hzi_jin.sdf -rw-rw-r-- root/root 3812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hzn_kin.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hzq_str.sdf -rw-rw-r-- root/root 2382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2hzy_dhj.sdf -rw-rw-r-- root/root 5555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i0e_pds.sdf -rw-rw-r-- root/root 3584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i0g_i0g.sdf -rw-rw-r-- root/root 5416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i0u_trt.sdf -rw-rw-r-- root/root 3448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i0v_6c3.sdf -rw-rw-r-- root/root 4191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i1m_5cn.sdf -rw-rw-r-- root/root 3991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i1r_vxr.sdf -rw-rw-r-- root/root 2993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i22_i22.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i29_nad.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i2b_cc5.sdf -rw-rw-r-- root/root 5715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i2c_dta.sdf -rw-rw-r-- root/root 6537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i2d_a2d.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i2f_nad.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i2z_sal.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i30_sal.sdf -rw-rw-r-- root/root 6062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i3i_618.sdf -rw-rw-r-- root/root 4415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i3z_lir.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i40_blz.sdf -rw-rw-r-- root/root 5635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i47_kgy.sdf -rw-rw-r-- root/root 7734 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i4d_qfi.sdf -rw-rw-r-- root/root 6226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i4g_ua1.sdf -rw-rw-r-- root/root 6202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i4j_drj.sdf -rw-rw-r-- root/root 4750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i4m_psd.sdf -rw-rw-r-- root/root 4394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i4n_5ca.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i4o_atp.sdf -rw-rw-r-- root/root 5647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i4q_ua4.sdf -rw-rw-r-- root/root 6921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i4u_djr.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i5c_ip5.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i5f_5ip.sdf -rw-rw-r-- root/root 3787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i5j_k05.sdf -rw-rw-r-- root/root 2208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i5x_ua5.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i65_nad.sdf -rw-rw-r-- root/root 5405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i66_g1r.sdf -rw-rw-r-- root/root 5405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i66_g2r.sdf -rw-rw-r-- root/root 2965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i67_apr.sdf -rw-rw-r-- root/root 2959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i6a_5i5.sdf -rw-rw-r-- root/root 4929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i6b_89i.sdf -rw-rw-r-- root/root 1850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i6k_ea2.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i7d_dur.sdf -rw-rw-r-- root/root 2852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i80_g1l.sdf -rw-rw-r-- root/root 3414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i9g_bpi.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2i9k_sah.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ia6_atp.sdf -rw-rw-r-- root/root 3618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ia6_bap.sdf -rw-rw-r-- root/root 3659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ibs_nea.sdf -rw-rw-r-- root/root 5269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ica_2ic.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ick_dma.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2idb_1pe.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2idh_pg4.sdf -rw-rw-r-- root/root 7552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2idz_zid.sdf -rw-rw-r-- root/root 7552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ie0_zid.sdf -rw-rw-r-- root/root 3899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ieg_fry.sdf -rw-rw-r-- root/root 2484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ieg_plr.sdf -rw-rw-r-- root/root 3850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ieh_moy.sdf -rw-rw-r-- root/root 4513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iei_frx.sdf -rw-rw-r-- root/root 4817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iej_fii.sdf -rw-rw-r-- root/root 6193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iej_s48.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ier_plm.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ier_udp.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ies_plm.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ifb_plm.sdf -rw-rw-r-- root/root 8721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2igx_a1t.sdf -rw-rw-r-- root/root 7863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2igy_a2t.sdf -rw-rw-r-- root/root 3659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ih2_nea.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ih3_1em.sdf -rw-rw-r-- root/root 3356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ihq_lg7.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iht_tpp.sdf -rw-rw-r-- root/root 1503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ihu_tar.sdf -rw-rw-r-- root/root 5160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ihu_tp8.sdf -rw-rw-r-- root/root 3947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ihu_tp9.sdf -rw-rw-r-- root/root 2176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ihv_gva.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ihv_tpp.sdf -rw-rw-r-- root/root 4302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iit_872.sdf -rw-rw-r-- root/root 4009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iiv_565.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ij7_tpf.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ijm_adp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ijm_atp.sdf -rw-rw-r-- root/root 2902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ikg_bto.sdf -rw-rw-r-- root/root 2223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ikh_lit.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iki_388.sdf -rw-rw-r-- root/root 3545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ikj_393.sdf -rw-rw-r-- root/root 5598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iku_liy.sdf -rw-rw-r-- root/root 7407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2il2_lix.sdf -rw-rw-r-- root/root 1965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ilp_gb5.sdf -rw-rw-r-- root/root 5076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ilt_nn1.sdf -rw-rw-r-- root/root 1976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ima_gb4.sdf -rw-rw-r-- root/root 2528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2imb_ahl.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2imw_dds.sdf -rw-rw-r-- root/root 4270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2in6_839.sdf -rw-rw-r-- root/root 1687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ine_pac.sdf -rw-rw-r-- root/root 1254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2inx_ffp.sdf -rw-rw-r-- root/root 1774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2inz_ohp.sdf -rw-rw-r-- root/root 4696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2io6_330.sdf -rw-rw-r-- root/root 3098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iod_myc.sdf -rw-rw-r-- root/root 5094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iok_iok.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ip1_pg4.sdf -rw-rw-r-- root/root 4411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ipf_ffa.sdf -rw-rw-r-- root/root 4411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ipg_ffa.sdf -rw-rw-r-- root/root 4411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ipj_ffa.sdf -rw-rw-r-- root/root 2480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ipo_1ip.sdf -rw-rw-r-- root/root 1149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ipo_mae.sdf -rw-rw-r-- root/root 1702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ipw_2cl.sdf -rw-rw-r-- root/root 2271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iqd_lpa.sdf -rw-rw-r-- root/root 11248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2irv_pgv.sdf -rw-rw-r-- root/root 5238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2irw_nn4.sdf -rw-rw-r-- root/root 1702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2is7_2cl.sdf -rw-rw-r-- root/root 1687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2isf_pac.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iso_gff.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2isp_ggh.sdf -rw-rw-r-- root/root 973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2it4_ppf.sdf -rw-rw-r-- root/root 1833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2itm_xul.sdf -rw-rw-r-- root/root 5025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ito_ire.sdf -rw-rw-r-- root/root 5891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2itp_aee.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2itq_itq.sdf -rw-rw-r-- root/root 1559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iu3_203.sdf -rw-rw-r-- root/root 2220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iuq_tss.sdf -rw-rw-r-- root/root 1491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iux_nxa.sdf -rw-rw-r-- root/root 4241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iuz_d1h.sdf -rw-rw-r-- root/root 2945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ivd_acj.sdf -rw-rw-r-- root/root 5923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ive_twn.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ivi_acw.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ivj_bcv.sdf -rw-rw-r-- root/root 3178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ivs_ack.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ivt_amp.sdf -rw-rw-r-- root/root 4931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ivu_zd6.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ivv_pp1.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iw5_fad.sdf -rw-rw-r-- root/root 5447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iw6_qq2.sdf -rw-rw-r-- root/root 3089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iwe_2ih.sdf -rw-rw-r-- root/root 3566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iws_np4.sdf -rw-rw-r-- root/root 3566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iwu_np5.sdf -rw-rw-r-- root/root 4085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iwx_m1s.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iyo_6pg.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iyp_5rp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iyq_adp.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iyq_skm.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iyv_adp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iyw_atp.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iyx_skm.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iyy_s3p.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iyz_adp.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iyz_s3p.sdf -rw-rw-r-- root/root 2203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2iz1_res.sdf -rw-rw-r-- root/root 1531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2izk_gll.sdf -rw-rw-r-- root/root 3874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2izr_brk.sdf -rw-rw-r-- root/root 3286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2izs_brq.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2izt_23d.sdf -rw-rw-r-- root/root 4713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2izu_p01.sdf -rw-rw-r-- root/root 3955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j07_hdf.sdf -rw-rw-r-- root/root 4050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j08_irf.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j09_fmn.sdf -rw-rw-r-- root/root 10449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j0d_ery.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j0f_tdr.sdf -rw-rw-r-- root/root 2726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j0g_bm3.sdf -rw-rw-r-- root/root 2351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j0h_ach.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j0l_anp.sdf -rw-rw-r-- root/root 5065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j14_gni.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j1p_grg.sdf -rw-rw-r-- root/root 5766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j2i_ly4.sdf -rw-rw-r-- root/root 1748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j2p_sc2.sdf -rw-rw-r-- root/root 4845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j2u_gsq.sdf -rw-rw-r-- root/root 4754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j34_gs6.sdf -rw-rw-r-- root/root 4762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j38_gs5.sdf -rw-rw-r-- root/root 1780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j3j_hc4.sdf -rw-rw-r-- root/root 2427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j3k_hne.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j3l_p5a.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j3m_atp.sdf -rw-rw-r-- root/root 1484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j3m_pri.sdf -rw-rw-r-- root/root 3410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j3q_tfl.sdf -rw-rw-r-- root/root 4300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j47_gdv.sdf -rw-rw-r-- root/root 3837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j4a_oef.sdf -rw-rw-r-- root/root 2999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j4g_nb1.sdf -rw-rw-r-- root/root 6049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j4i_gsj.sdf -rw-rw-r-- root/root 5130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j4z_626.sdf -rw-rw-r-- root/root 5910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j50_627.sdf -rw-rw-r-- root/root 3824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j51_dki.sdf -rw-rw-r-- root/root 1409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j5v_pca.sdf -rw-rw-r-- root/root 2209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j5v_rgp.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j5x_gsp.sdf -rw-rw-r-- root/root 4993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j62_gsz.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j65_myr.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j65_udp.sdf -rw-rw-r-- root/root 2642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j6h_g6q.sdf -rw-rw-r-- root/root 5891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j6m_aee.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j6s_dtp.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j6u_dgt.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j75_noy.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j77_noj.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j78_gox.sdf -rw-rw-r-- root/root 2292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j79_gtl.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j7b_ntz.sdf -rw-rw-r-- root/root 3750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j7c_ide.sdf -rw-rw-r-- root/root 3205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j7d_gi1.sdf -rw-rw-r-- root/root 3310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j7e_gi2.sdf -rw-rw-r-- root/root 2780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j7f_gi3.sdf -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j7g_gi4.sdf -rw-rw-r-- root/root 2012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j7h_azf.sdf -rw-rw-r-- root/root 6276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j7t_274.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j7w_gtp.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j7x_est.sdf -rw-rw-r-- root/root 4081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j7y_e3o.sdf -rw-rw-r-- root/root 5662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j83_bat.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j8s_lmt.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j90_iza.sdf -rw-rw-r-- root/root 4773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j94_g15.sdf -rw-rw-r-- root/root 4847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j95_gsx.sdf -rw-rw-r-- root/root 5187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j9f_thv.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j9h_gtx.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j9x_p1t.sdf -rw-rw-r-- root/root 3122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2j9y_foo.sdf -rw-rw-r-- root/root 2268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jai_cir.sdf -rw-rw-r-- root/root 3222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jaj_d20.sdf -rw-rw-r-- root/root 5079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jam_j60.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jau_atm.sdf -rw-rw-r-- root/root 572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jau_po4.sdf -rw-rw-r-- root/root 3588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jav_5z5.sdf -rw-rw-r-- root/root 3412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jaw_bvp.sdf -rw-rw-r-- root/root 4177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jb4_a14.sdf -rw-rw-r-- root/root 1409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jb8_hkv.sdf -rw-rw-r-- root/root 1503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jbm_srt.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jbt_4hp.sdf -rw-rw-r-- root/root 4941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jc0_699.sdf -rw-rw-r-- root/root 5598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jc1_698.sdf -rw-rw-r-- root/root 3527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jc6_qpp.sdf -rw-rw-r-- root/root 184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jck_mn.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jcs_ttp.sdf -rw-rw-r-- root/root 1931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jcv_fom.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jcv_ndp.sdf -rw-rw-r-- root/root 1931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jcx_fom.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jcx_ndp.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jd0_ndp.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jd1_ndp.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jdo_i5s.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jdr_l20.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jds_l20.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2je7_xmm.sdf -rw-rw-r-- root/root 5697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jed_lg8.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jeg_dgt.sdf -rw-rw-r-- root/root 11357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jev_nhq.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jew_720.sdf -rw-rw-r-- root/root 3775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jey_hlo.sdf -rw-rw-r-- root/root 3775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jez_hlo.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jf0_hbp.sdf -rw-rw-r-- root/root 6009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jf3_ud1.sdf -rw-rw-r-- root/root 4326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jf4_vdm.sdf -rw-rw-r-- root/root 6690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jf6_s55.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jff_lk2.sdf -rw-rw-r-- root/root 7695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jfg_uma.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jfh_lk1.sdf -rw-rw-r-- root/root 5307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jfz_003.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jg0_ttz.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jg3_ba2.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jge_pge.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jgf_pge.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jgi_ae3.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jgj_ae3.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jgl_pge.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jhf_nad.sdf -rw-rw-r-- root/root 1379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jhg_ibo.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jhg_nad.sdf -rw-rw-r-- root/root 8066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ji6_oxk.sdf -rw-rw-r-- root/root 4114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ji6_tpw.sdf -rw-rw-r-- root/root 11864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ji7_oxt.sdf -rw-rw-r-- root/root 7784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ji8_fyn.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ji8_tpp.sdf -rw-rw-r-- root/root 4114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ji9_tpw.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jib_coa.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jib_tpp.sdf -rw-rw-r-- root/root 4518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jid_gvb.sdf -rw-rw-r-- root/root 4625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jih_097.sdf -rw-rw-r-- root/root 2814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jiw_beu.sdf -rw-rw-r-- root/root 4201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jj3_jj3.sdf -rw-rw-r-- root/root 2983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jj8_azz.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jje_plp.sdf -rw-rw-r-- root/root 4283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jjg_l18.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jjg_plp.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jjh_plp.sdf -rw-rw-r-- root/root 5543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jjk_r15.sdf -rw-rw-r-- root/root 10094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jjo_ey5.sdf -rw-rw-r-- root/root 5829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jjp_kln.sdf -rw-rw-r-- root/root 6316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jk7_bi6.sdf -rw-rw-r-- root/root 2975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jkl_brx.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jkl_clm.sdf -rw-rw-r-- root/root 6254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jkm_bii.sdf -rw-rw-r-- root/root 5747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jko_bij.sdf -rw-rw-r-- root/root 6894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jkq_vg8.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jkv_nap.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jl4_gsh.sdf -rw-rw-r-- root/root 5352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jld_ag1.sdf -rw-rw-r-- root/root 2917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2jle_i15.sdf -rw-rw-r-- root/root 2505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ki5_ac2.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ktq_dct.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2lbd_rea.sdf -rw-rw-r-- root/root 2081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2lig_phn.sdf -rw-rw-r-- root/root 2924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2mas_pir.sdf -rw-rw-r-- root/root 6638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2mbr_epu.sdf -rw-rw-r-- root/root 2695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nm2_neu.sdf -rw-rw-r-- root/root 2695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nm3_mpu.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nmp_plp.sdf -rw-rw-r-- root/root 8461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nmt_mim.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nmv_adp.sdf -rw-rw-r-- root/root 1119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nmv_nml.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nmx_m25.sdf -rw-rw-r-- root/root 2393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nn1_m28.sdf -rw-rw-r-- root/root 2912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nn7_m29.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nn8_lat.sdf -rw-rw-r-- root/root 2370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nnd_prz.sdf -rw-rw-r-- root/root 6981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nni_mtk.sdf -rw-rw-r-- root/root 4012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nnj_225.sdf -rw-rw-r-- root/root 3076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nnl_erd.sdf -rw-rw-r-- root/root 5662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nnq_t4b.sdf -rw-rw-r-- root/root 2694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2no0_geo.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2no1_dcz.sdf -rw-rw-r-- root/root 3604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2no3_859.sdf -rw-rw-r-- root/root 2424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2no6_etv.sdf -rw-rw-r-- root/root 2669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2no7_ldc.sdf -rw-rw-r-- root/root 2407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2no9_ltt.sdf -rw-rw-r-- root/root 2407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2noa_3tc.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nob_8og.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nod_h4b.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2noe_8og.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nof_8og.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2noh_8og.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2noz_8og.sdf -rw-rw-r-- root/root 3659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2np6_nea.sdf -rw-rw-r-- root/root 4430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2np8_cc3.sdf -rw-rw-r-- root/root 5429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2npa_mmb.sdf -rw-rw-r-- root/root 9226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2npf_mou.sdf -rw-rw-r-- root/root 3477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nq6_hm4.sdf -rw-rw-r-- root/root 3384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nq7_hm5.sdf -rw-rw-r-- root/root 8531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nr9_pqe.sdf -rw-rw-r-- root/root 5132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nru_t12.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nry_stu.sdf -rw-rw-r-- root/root 4080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nsd_4pi.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nsd_nad.sdf -rw-rw-r-- root/root 1294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nsi_itu.sdf -rw-rw-r-- root/root 2094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nsx_ifm.sdf -rw-rw-r-- root/root 5871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nt7_902.sdf -rw-rw-r-- root/root 2723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nta_521.sdf -rw-rw-r-- root/root 8447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ntj_p1h.sdf -rw-rw-r-- root/root 8447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ntv_p1h.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nuv_2tn.sdf -rw-rw-r-- root/root 7552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nv6_zid.sdf -rw-rw-r-- root/root 3059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nv7_555.sdf -rw-rw-r-- root/root 3554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nvc_ita.sdf -rw-rw-r-- root/root 3012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nvd_itb.sdf -rw-rw-r-- root/root 3074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nw4_8nh.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nws_a5p.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nws_pep.sdf -rw-rw-r-- root/root 2747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nww_tb1.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nx1_pep.sdf -rw-rw-r-- root/root 2314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nx1_rp5.sdf -rw-rw-r-- root/root 3909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nx3_1nt.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nxh_pep.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nxi_pep.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nxw_tpp.sdf -rw-rw-r-- root/root 2173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nz5_226.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nzt_bg6.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2nzt_glc.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o0b_s3p.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o0e_pep.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o0e_s3p.sdf -rw-rw-r-- root/root 5650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o0u_c0m.sdf -rw-rw-r-- root/root 3838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o0x_skp.sdf -rw-rw-r-- root/root 3126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o0z_eps.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o1h_udp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o1u_anp.sdf -rw-rw-r-- root/root 2642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o2c_g6q.sdf -rw-rw-r-- root/root 3156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o2u_738.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o3p_que.sdf -rw-rw-r-- root/root 5159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o3q_cxr.sdf -rw-rw-r-- root/root 5159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o3r_cxr.sdf -rw-rw-r-- root/root 5159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o3s_cxr.sdf -rw-rw-r-- root/root 5434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o3t_cgr.sdf -rw-rw-r-- root/root 6707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o3u_ngd.sdf -rw-rw-r-- root/root 3335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o3z_ai7.sdf -rw-rw-r-- root/root 1681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o48_ac6.sdf -rw-rw-r-- root/root 6406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o4j_vd4.sdf -rw-rw-r-- root/root 6406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o4r_vd5.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o51_fru.sdf -rw-rw-r-- root/root 5289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o5d_vr1.sdf -rw-rw-r-- root/root 4972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o5k_hbm.sdf -rw-rw-r-- root/root 3098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o63_myc.sdf -rw-rw-r-- root/root 3095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o64_myu.sdf -rw-rw-r-- root/root 3001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o65_myf.sdf -rw-rw-r-- root/root 1441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o73_2al.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o74_gun.sdf -rw-rw-r-- root/root 1685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o78_tca.sdf -rw-rw-r-- root/root 1780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o7b_hc4.sdf -rw-rw-r-- root/root 1874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o7d_dhc.sdf -rw-rw-r-- root/root 1780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o7f_hc4.sdf -rw-rw-r-- root/root 3997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o7n_2o7.sdf -rw-rw-r-- root/root 5112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o7o_dxt.sdf -rw-rw-r-- root/root 2032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o7q_dhk.sdf -rw-rw-r-- root/root 2032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o7s_dhk.sdf -rw-rw-r-- root/root 5732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o8h_227.sdf -rw-rw-r-- root/root 1763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o8w_pl0.sdf -rw-rw-r-- root/root 9277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o98_fsc.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o9i_444.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2o9j_cza.sdf -rw-rw-r-- root/root 3571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oae_ail.sdf -rw-rw-r-- root/root 3993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oat_pfm.sdf -rw-rw-r-- root/root 3665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oaz_i96.sdf -rw-rw-r-- root/root 11006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2obd_2ob.sdf -rw-rw-r-- root/root 12208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2obd_pcw.sdf -rw-rw-r-- root/root 3671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2obf_f83.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2obf_sah.sdf -rw-rw-r-- root/root 3179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2obj_vrv.sdf -rw-rw-r-- root/root 7243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oc2_rx3.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oc4_imh.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oc9_imh.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oci_tyc.sdf -rw-rw-r-- root/root 1853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ocu_tyl.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2odb_gcp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ode_gdp.sdf -rw-rw-r-- root/root 2195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oem_1ae.sdf -rw-rw-r-- root/root 5109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2of2_547.sdf -rw-rw-r-- root/root 5022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2of4_979.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2of8_bni.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ofb_bni.sdf -rw-rw-r-- root/root 4843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2off_off.sdf -rw-rw-r-- root/root 8632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ofu_1n9.sdf -rw-rw-r-- root/root 4438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ofv_242.sdf -rw-rw-r-- root/root 6532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2og8_1n8.sdf -rw-rw-r-- root/root 3994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oga_pgu.sdf -rw-rw-r-- root/root 5266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ogy_c2f.sdf -rw-rw-r-- root/root 4089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ogz_u1n.sdf -rw-rw-r-- root/root 4594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oh0_2py.sdf -rw-rw-r-- root/root 4911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oh4_gig.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ohx_nad.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oi0_283.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oid_anp.sdf -rw-rw-r-- root/root 6180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oiq_sti.sdf -rw-rw-r-- root/root 4514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oj9_bmi.sdf -rw-rw-r-- root/root 4516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ojf_4py.sdf -rw-rw-r-- root/root 3405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ojg_19a.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oji_33a.sdf -rw-rw-r-- root/root 4444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ojj_82a.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ok1_33a.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ok2_mal.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ok6_bez.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2okg_g3h.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2olc_adp.sdf -rw-rw-r-- root/root 4925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ole_kr2.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2olh_cbi.sdf -rw-rw-r-- root/root 2319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oli_iop.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oly_rco.sdf -rw-rw-r-- root/root 5817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2om9_aja.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2omh_rco.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2on6_imh.sdf -rw-rw-r-- root/root 1926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2onb_7pa.sdf -rw-rw-r-- root/root 4397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2onc_sy1.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2one_2pg.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2one_pep.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ony_sah.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ony_tmj.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2onz_sah.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2onz_tmj.sdf -rw-rw-r-- root/root 6177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oo8_raj.sdf -rw-rw-r-- root/root 3192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ooh_ox3.sdf -rw-rw-r-- root/root 3202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oow_ox4.sdf -rw-rw-r-- root/root 1597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ooz_ox5.sdf -rw-rw-r-- root/root 4967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2op9_wr1.sdf -rw-rw-r-- root/root 1811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2opa_fhc.sdf -rw-rw-r-- root/root 3649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2opb_f21.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2opb_sah.sdf -rw-rw-r-- root/root 4746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oph_277.sdf -rw-rw-r-- root/root 2689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2opm_ni9.sdf -rw-rw-r-- root/root 2537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2opn_suf.sdf -rw-rw-r-- root/root 3375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2opp_hbq.sdf -rw-rw-r-- root/root 6064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2opx_dxc.sdf -rw-rw-r-- root/root 5189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2opy_co9.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oq6_oga.sdf -rw-rw-r-- root/root 5617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oqo_cps.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oqv_ma9.sdf -rw-rw-r-- root/root 1889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2or4_qus.sdf -rw-rw-r-- root/root 2726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2orj_bm3.sdf -rw-rw-r-- root/root 5035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oro_228.sdf -rw-rw-r-- root/root 6504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2orp_r86.sdf -rw-rw-r-- root/root 1887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2orq_msr.sdf -rw-rw-r-- root/root 3928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2orr_333.sdf -rw-rw-r-- root/root 4188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ors_391.sdf -rw-rw-r-- root/root 4675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ort_342.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2os1_bb2.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2os2_oga.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2os9_ins.sdf -rw-rw-r-- root/root 4702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2osc_muh.sdf -rw-rw-r-- root/root 3542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ot1_n3p.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ot7_oga.sdf -rw-rw-r-- root/root 2807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2otc_pao.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2otf_2tn.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ou7_anp.sdf -rw-rw-r-- root/root 3270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ouu_35g.sdf -rw-rw-r-- root/root 5615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ouz_c3d.sdf -rw-rw-r-- root/root 1317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ov4_anl.sdf -rw-rw-r-- root/root 4799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ov4_aqp.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ov5_bcn.sdf -rw-rw-r-- root/root 4858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ovv_pfh.sdf -rw-rw-r-- root/root 4692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ovy_pfj.sdf -rw-rw-r-- root/root 6748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ow3_bim.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ow6_mrd.sdf -rw-rw-r-- root/root 2479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ow6_nk1.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ow7_mrd.sdf -rw-rw-r-- root/root 2386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ow7_nk2.sdf -rw-rw-r-- root/root 4069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ow9_sp6.sdf -rw-rw-r-- root/root 5130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2owb_626.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2owo_amp.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2owz_f6p.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ox0_oga.sdf -rw-rw-r-- root/root 1574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oxd_k32.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oxn_oan.sdf -rw-rw-r-- root/root 1574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oxx_k22.sdf -rw-rw-r-- root/root 1479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oxy_k17.sdf -rw-rw-r-- root/root 4987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oye_im8.sdf -rw-rw-r-- root/root 2056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oyf_iac.sdf -rw-rw-r-- root/root 4553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oyq_n5p.sdf -rw-rw-r-- root/root 4987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oyu_ims.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oz0_fmn.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oz0_pyr.sdf -rw-rw-r-- root/root 5259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2oz7_ca4.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ozo_anp.sdf -rw-rw-r-- root/root 4779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ozr_gg1.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p02_sam.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p0c_anp.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p0d_i3p.sdf -rw-rw-r-- root/root 2693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p0e_tiz.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p0h_i3s.sdf -rw-rw-r-- root/root 5543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p15_ezt.sdf -rw-rw-r-- root/root 5392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p16_gg2.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p1d_5gp.sdf -rw-rw-r-- root/root 1803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p1n_cfa.sdf -rw-rw-r-- root/root 2235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p1o_nla.sdf -rw-rw-r-- root/root 2056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p1p_iac.sdf -rw-rw-r-- root/root 2056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p1q_iac.sdf -rw-rw-r-- root/root 5952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p1s_gfg.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p1t_3tn.sdf -rw-rw-r-- root/root 5328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p1u_4tn.sdf -rw-rw-r-- root/root 5588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p1v_5tn.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p2h_994.sdf -rw-rw-r-- root/root 4590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p2i_608.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p33_j07.sdf -rw-rw-r-- root/root 4328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p37_m13.sdf -rw-rw-r-- root/root 7089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p3l_g3a.sdf -rw-rw-r-- root/root 7439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p3o_gta.sdf -rw-rw-r-- root/root 7183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p3q_gp3.sdf -rw-rw-r-- root/root 5078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p3t_993.sdf -rw-rw-r-- root/root 4901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p3u_663.sdf -rw-rw-r-- root/root 7545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p40_gtg.sdf -rw-rw-r-- root/root 7805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p41_g1g.sdf -rw-rw-r-- root/root 6212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p4i_mr9.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p4t_nap.sdf -rw-rw-r-- root/root 5718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p4y_c03.sdf -rw-rw-r-- root/root 3361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p53_nng.sdf -rw-rw-r-- root/root 4948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p54_735.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p55_atp.sdf -rw-rw-r-- root/root 3512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p55_mra.sdf -rw-rw-r-- root/root 9762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p59_gg4.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p5b_oga.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p69_plp.sdf -rw-rw-r-- root/root 3484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p6f_gn8.sdf -rw-rw-r-- root/root 5131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p6g_3lp.sdf -rw-rw-r-- root/root 2370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p70_prz.sdf -rw-rw-r-- root/root 4401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p71_ihd.sdf -rw-rw-r-- root/root 1503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p7a_43m.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p7t_1em.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p85_ind.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p8b_nsk.sdf -rw-rw-r-- root/root 3337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p8c_sug.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p8s_417.sdf -rw-rw-r-- root/root 3968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p93_me1.sdf -rw-rw-r-- root/root 5493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p94_me4.sdf -rw-rw-r-- root/root 4589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p95_me5.sdf -rw-rw-r-- root/root 2540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p98_ye7.sdf -rw-rw-r-- root/root 2351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2p9a_ye6.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2paf_npf.sdf -rw-rw-r-- root/root 2267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pax_4an.sdf -rw-rw-r-- root/root 3888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pbw_doq.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pc2_pdc.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pd3_tcl.sdf -rw-rw-r-- root/root 2261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pd4_dcn.sdf -rw-rw-r-- root/root 3545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pdc_393.sdf -rw-rw-r-- root/root 3084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pdg_47d.sdf -rw-rw-r-- root/root 3084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pdh_47d.sdf -rw-rw-r-- root/root 3545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pdj_393.sdf -rw-rw-r-- root/root 2442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pdk_sbi.sdf -rw-rw-r-- root/root 3500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pdl_tol.sdf -rw-rw-r-- root/root 3084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pdn_47d.sdf -rw-rw-r-- root/root 2792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pe0_39z.sdf -rw-rw-r-- root/root 3240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pe1_517.sdf -rw-rw-r-- root/root 6097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pe2_464.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pe5_145.sdf -rw-rw-r-- root/root 1739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2per_mnb.sdf -rw-rw-r-- root/root 3570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pfg_ddd.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pfh_ldt.sdf -rw-rw-r-- root/root 4048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pfn_dup.sdf -rw-rw-r-- root/root 4048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pfo_dup.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pfp_dcp.sdf -rw-rw-r-- root/root 1249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pfq_ppv.sdf -rw-rw-r-- root/root 4185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pg2_k01.sdf -rw-rw-r-- root/root 2439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pga_anu.sdf -rw-rw-r-- root/root 5076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pgj_n1c.sdf -rw-rw-r-- root/root 5076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pgl_n1c.sdf -rw-rw-r-- root/root 5636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pgt_gpr.sdf -rw-rw-r-- root/root 5842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ph8_35a.sdf -rw-rw-r-- root/root 5130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2phb_230.sdf -rw-rw-r-- root/root 5304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pid_ysa.sdf -rw-rw-r-- root/root 3244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pin_leg.sdf -rw-rw-r-- root/root 1786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pio_2mi.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pip_dht.sdf -rw-rw-r-- root/root 1808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pip_ico.sdf -rw-rw-r-- root/root 2804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pit_4hy.sdf -rw-rw-r-- root/root 3237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2piw_t3.sdf -rw-rw-r-- root/root 2795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pix_flf.sdf -rw-rw-r-- root/root 5931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2piy_528.sdf -rw-rw-r-- root/root 4620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2piz_606.sdf -rw-rw-r-- root/root 5433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pj0_922.sdf -rw-rw-r-- root/root 5245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pj1_578.sdf -rw-rw-r-- root/root 5411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pj2_864.sdf -rw-rw-r-- root/root 5599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pj3_86a.sdf -rw-rw-r-- root/root 6060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pj4_414.sdf -rw-rw-r-- root/root 5953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pj5_11b.sdf -rw-rw-r-- root/root 5671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pj6_059.sdf -rw-rw-r-- root/root 5151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pj7_235.sdf -rw-rw-r-- root/root 6060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pj8_17a.sdf -rw-rw-r-- root/root 5280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pj9_281.sdf -rw-rw-r-- root/root 7393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pja_33z.sdf -rw-rw-r-- root/root 7559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pjb_983.sdf -rw-rw-r-- root/root 7321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pjc_343.sdf -rw-rw-r-- root/root 4793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pjl_047.sdf -rw-rw-r-- root/root 5661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pjt_347.sdf -rw-rw-r-- root/root 6180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pl0_sti.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pmi_ags.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pmj_cou.sdf -rw-rw-r-- root/root 2162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pnc_clu.sdf -rw-rw-r-- root/root 6161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pnj_chd.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pno_gsh.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pno_lmt.sdf -rw-rw-r-- root/root 2424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pnr_red.sdf -rw-rw-r-- root/root 6132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pnu_enm.sdf -rw-rw-r-- root/root 6161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2po5_chd.sdf -rw-rw-r-- root/root 6161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2po7_chd.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2poc_bg6.sdf -rw-rw-r-- root/root 1869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2poq_isd.sdf -rw-rw-r-- root/root 2030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pp1_llh.sdf -rw-rw-r-- root/root 2209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pp3_lgt.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pq9_gg9.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pqb_gg9.sdf -rw-rw-r-- root/root 3744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pqc_rc1.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pqd_gg9.sdf -rw-rw-r-- root/root 6369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pqz_g0g.sdf -rw-rw-r-- root/root 8144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pr2_dg1.sdf -rw-rw-r-- root/root 3989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2prh_238.sdf -rw-rw-r-- root/root 3645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2prh_ddq.sdf -rw-rw-r-- root/root 3645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2prl_ddq.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2prl_r2c.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2prz_omp.sdf -rw-rw-r-- root/root 1443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ps1_oro.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ps1_prp.sdf -rw-rw-r-- root/root 4774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2psj_cei.sdf -rw-rw-r-- root/root 6393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2psu_muu.sdf -rw-rw-r-- root/root 5780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2psv_muv.sdf -rw-rw-r-- root/root 3626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pu2_dk2.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pu5_mli.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pu7_mli.sdf -rw-rw-r-- root/root 2355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2puh_hpk.sdf -rw-rw-r-- root/root 2420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2puj_hpz.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pul_acp.sdf -rw-rw-r-- root/root 2113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pun_sr1.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pup_adp.sdf -rw-rw-r-- root/root 2643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2put_f6r.sdf -rw-rw-r-- root/root 2893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2puv_m6r.sdf -rw-rw-r-- root/root 2019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2puz_nig.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pvf_acp.sdf -rw-rw-r-- root/root 3449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pvh_p19.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pvj_p44.sdf -rw-rw-r-- root/root 3826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pvk_p45.sdf -rw-rw-r-- root/root 4229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pvl_p55.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pvm_p29.sdf -rw-rw-r-- root/root 4179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pvn_p63.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pvr_anp.sdf -rw-rw-r-- root/root 1678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pvv_ose.sdf -rw-rw-r-- root/root 2289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pvw_g88.sdf -rw-rw-r-- root/root 1854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pw0_trc.sdf -rw-rw-r-- root/root 1794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pw3_cmp.sdf -rw-rw-r-- root/root 1294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pwa_b2a.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pwb_cou.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pwl_acp.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pws_ibp.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2px1_rip.sdf -rw-rw-r-- root/root 2855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pxh_bp5.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pxi_gfh.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pxj_oga.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2py3_acp.sdf -rw-rw-r-- root/root 3878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pyz_au4.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pz5_acp.sdf -rw-rw-r-- root/root 3123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pzi_axx.sdf -rw-rw-r-- root/root 1234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pzv_iph.sdf -rw-rw-r-- root/root 5029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pzy_b18.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2pzy_stu.sdf -rw-rw-r-- root/root 1867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q09_di6.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q0b_acp.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q0i_bez.sdf -rw-rw-r-- root/root 6877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q1l_882.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q21_gdp.sdf -rw-rw-r-- root/root 7107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q2n_h01.sdf -rw-rw-r-- root/root 7107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q2o_h01.sdf -rw-rw-r-- root/root 5986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q2y_mkr.sdf -rw-rw-r-- root/root 6046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q2z_mkk.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q31_atp.sdf -rw-rw-r-- root/root 3455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q3d_pda.sdf -rw-rw-r-- root/root 7662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q3j_h02.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q3o_fmn.sdf -rw-rw-r-- root/root 5617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q3t_cps.sdf -rw-rw-r-- root/root 5690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q59_240.sdf -rw-rw-r-- root/root 4428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q5a_16p.sdf -rw-rw-r-- root/root 5715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q5f_dta.sdf -rw-rw-r-- root/root 6318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q5g_1fa.sdf -rw-rw-r-- root/root 4114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q5j_tpw.sdf -rw-rw-r-- root/root 4725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q5l_s1t.sdf -rw-rw-r-- root/root 1872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q5o_ppy.sdf -rw-rw-r-- root/root 4114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q5o_tpw.sdf -rw-rw-r-- root/root 5690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q5p_241.sdf -rw-rw-r-- root/root 2387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q5q_kpv.sdf -rw-rw-r-- root/root 4114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q5q_tpw.sdf -rw-rw-r-- root/root 4005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q5s_nza.sdf -rw-rw-r-- root/root 3993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q61_sf1.sdf -rw-rw-r-- root/root 6592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q6b_hr2.sdf -rw-rw-r-- root/root 6715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q6c_hr1.sdf -rw-rw-r-- root/root 5523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q6j_a48.sdf -rw-rw-r-- root/root 3585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q6m_p34.sdf -rw-rw-r-- root/root 1798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q6n_1ci.sdf -rw-rw-r-- root/root 4347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q6r_sf2.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q7k_tes.sdf -rw-rw-r-- root/root 1592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q7q_c2b.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q7w_pmp.sdf -rw-rw-r-- root/root 3542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q85_973.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q8e_oga.sdf -rw-rw-r-- root/root 4498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q8g_azx.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q8i_rdc.sdf -rw-rw-r-- root/root 3268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q8j_m2p.sdf -rw-rw-r-- root/root 3115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q8m_fbp.sdf -rw-rw-r-- root/root 5184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q8s_l92.sdf -rw-rw-r-- root/root 2304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q92_b23.sdf -rw-rw-r-- root/root 2433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q93_b21.sdf -rw-rw-r-- root/root 2466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q94_a04.sdf -rw-rw-r-- root/root 2316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q95_a05.sdf -rw-rw-r-- root/root 2351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q96_a18.sdf -rw-rw-r-- root/root 6943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q9f_c3s.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q9s_eic.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2q9y_btm.sdf -rw-rw-r-- root/root 2450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qbl_cam.sdf -rw-rw-r-- root/root 5670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qbp_527.sdf -rw-rw-r-- root/root 5341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qbq_4b3.sdf -rw-rw-r-- root/root 4064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qbr_910.sdf -rw-rw-r-- root/root 4302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qbs_024.sdf -rw-rw-r-- root/root 1996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qc6_g12.sdf -rw-rw-r-- root/root 2547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qc8_p3s.sdf -rw-rw-r-- root/root 3152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qcf_5fu.sdf -rw-rw-r-- root/root 3150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qcg_5bu.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qcl_omp.sdf -rw-rw-r-- root/root 3494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qcm_jw5.sdf -rw-rw-r-- root/root 5310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qct_561.sdf -rw-rw-r-- root/root 2652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qcx_pf1.sdf -rw-rw-r-- root/root 6904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qd1_pp9.sdf -rw-rw-r-- root/root 6161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qd4_chd.sdf -rw-rw-r-- root/root 6904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qd5_pp9.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qdi_pge.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qds_mco.sdf -rw-rw-r-- root/root 2011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qdt_i38.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qe0_g3h.sdf -rw-rw-r-- root/root 3595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qe2_452.sdf -rw-rw-r-- root/root 3055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qe5_617.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qey_gtp.sdf -rw-rw-r-- root/root 1177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qf1_oaa.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qf2_gdp.sdf -rw-rw-r-- root/root 1177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qf2_oaa.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qfs_s3p.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qg0_a94.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qg6_nmn.sdf -rw-rw-r-- root/root 5031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qh6_ode.sdf -rw-rw-r-- root/root 2778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qhn_582.sdf -rw-rw-r-- root/root 5375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qhx_fe1.sdf -rw-rw-r-- root/root 6090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qhy_mz1.sdf -rw-rw-r-- root/root 5852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qhz_mz2.sdf -rw-rw-r-- root/root 6449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qi0_mz3.sdf -rw-rw-r-- root/root 6366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qi1_mz4.sdf -rw-rw-r-- root/root 6650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qi3_mz5.sdf -rw-rw-r-- root/root 6519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qi4_mz6.sdf -rw-rw-r-- root/root 7181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qi5_mz7.sdf -rw-rw-r-- root/root 6259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qi6_mz8.sdf -rw-rw-r-- root/root 6889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qi7_mz9.sdf -rw-rw-r-- root/root 9669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qia_u20.sdf -rw-rw-r-- root/root 3276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qie_8cs.sdf -rw-rw-r-- root/root 1725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qii_pq0.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qio_tcl.sdf -rw-rw-r-- root/root 8793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qiq_cyv.sdf -rw-rw-r-- root/root 2588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qis_ris.sdf -rw-rw-r-- root/root 8629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qiv_u21.sdf -rw-rw-r-- root/root 5687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qje_bad.sdf -rw-rw-r-- root/root 2281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qjm_cs2.sdf -rw-rw-r-- root/root 2023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qjn_kdg.sdf -rw-rw-r-- root/root 4336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qjr_pzf.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ql6_adp.sdf -rw-rw-r-- root/root 2693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ql6_tiz.sdf -rw-rw-r-- root/root 4302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qlq_sr2.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qlu_ade.sdf -rw-rw-r-- root/root 5280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qm9_tdz.sdf -rw-rw-r-- root/root 7830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qmj_acr.sdf -rw-rw-r-- root/root 2068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qmy_ad1.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qmz_ldp.sdf -rw-rw-r-- root/root 7401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qn1_0as.sdf -rw-rw-r-- root/root 7141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qn2_0ma.sdf -rw-rw-r-- root/root 3960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qn8_nby.sdf -rw-rw-r-- root/root 6391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qnq_qn3.sdf -rw-rw-r-- root/root 86 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qnv_cdz.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qo7_anp.sdf -rw-rw-r-- root/root 4404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qo8_3cc.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qo9_anp.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qoe_448.sdf -rw-rw-r-- root/root 4406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qoh_p3y.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qp3_aox.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qp4_aox.sdf -rw-rw-r-- root/root 6638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qpj_i20.sdf -rw-rw-r-- root/root 1690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qpk_sha.sdf -rw-rw-r-- root/root 1799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qpl_bty.sdf -rw-rw-r-- root/root 7831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qpu_qps.sdf -rw-rw-r-- root/root 6026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qpu_qpu.sdf -rw-rw-r-- root/root 2804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qpy_4hy.sdf -rw-rw-r-- root/root 1959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qqt_ain.sdf -rw-rw-r-- root/root 1986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qr2_vk3.sdf -rw-rw-r-- root/root 4343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qr9_hz3.sdf -rw-rw-r-- root/root 3131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qrn_dcm.sdf -rw-rw-r-- root/root 2873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qro_d5m.sdf -rw-rw-r-- root/root 3615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qs1_ub1.sdf -rw-rw-r-- root/root 3343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qs2_ubf.sdf -rw-rw-r-- root/root 4500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qs3_ube.sdf -rw-rw-r-- root/root 4343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qs4_ly5.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qsy_adp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qt0_anp.sdf -rw-rw-r-- root/root 3046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qt0_nnr.sdf -rw-rw-r-- root/root 3046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qt1_nnr.sdf -rw-rw-r-- root/root 5604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qt9_524.sdf -rw-rw-r-- root/root 5615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qtb_474.sdf -rw-rw-r-- root/root 3309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qtg_mth.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qtn_ncn.sdf -rw-rw-r-- root/root 6531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qtr_nxx.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qtt_fmc.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qtu_3as.sdf -rw-rw-r-- root/root 4647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qu3_462.sdf -rw-rw-r-- root/root 4373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qu5_276.sdf -rw-rw-r-- root/root 5661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qu6_857.sdf -rw-rw-r-- root/root 1939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qu9_eug.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qui_atp.sdf -rw-rw-r-- root/root 2579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qui_ltn.sdf -rw-rw-r-- root/root 5589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2quj_tym.sdf -rw-rw-r-- root/root 2185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qum_tag.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qun_fud.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2quz_gdp.sdf -rw-rw-r-- root/root 9707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qv4_qv4.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qvd_ber.sdf -rw-rw-r-- root/root 3114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qvr_fdp.sdf -rw-rw-r-- root/root 3114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qvu_fdp.sdf -rw-rw-r-- root/root 3114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qvv_fdp.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qwc_dan.sdf -rw-rw-r-- root/root 3443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qwd_4am.sdf -rw-rw-r-- root/root 4057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qwe_gna.sdf -rw-rw-r-- root/root 4237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qwf_g20.sdf -rw-rw-r-- root/root 3956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qwg_g28.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qwh_g39.sdf -rw-rw-r-- root/root 4237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qwi_g20.sdf -rw-rw-r-- root/root 3956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qwj_g28.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qwk_g39.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qwl_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qwm_adp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qwr_anp.sdf -rw-rw-r-- root/root 3027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qx8_ml2.sdf -rw-rw-r-- root/root 3851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qyk_npv.sdf -rw-rw-r-- root/root 3851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qyl_npv.sdf -rw-rw-r-- root/root 3851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qyn_npv.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qyu_b3p.sdf -rw-rw-r-- root/root 3988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qzr_s79.sdf -rw-rw-r-- root/root 3327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qzs_250.sdf -rw-rw-r-- root/root 3013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2qzz_emf.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r09_pe5.sdf -rw-rw-r-- root/root 4863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r0u_m54.sdf -rw-rw-r-- root/root 1377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r0y_aly.sdf -rw-rw-r-- root/root 1821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r1k_dpf.sdf -rw-rw-r-- root/root 3079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r1n_epl.sdf -rw-rw-r-- root/root 1821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r1p_dpj.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r2l_fpp.sdf -rw-rw-r-- root/root 6631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r2l_pb9.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r2n_pmp.sdf -rw-rw-r-- root/root 3117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r2w_4pg.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r3m_scx.sdf -rw-rw-r-- root/root 4159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r3n_scz.sdf -rw-rw-r-- root/root 3755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r3p_3sc.sdf -rw-rw-r-- root/root 3924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r3q_5sc.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r3x_gtx.sdf -rw-rw-r-- root/root 6962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r40_20e.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r42_fps.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r45_2pg.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r46_pep.sdf -rw-rw-r-- root/root 6654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r4f_rie.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r4j_13p.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r56_lmt.sdf -rw-rw-r-- root/root 2683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r58_mly.sdf -rw-rw-r-- root/root 5957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r59_ph0.sdf -rw-rw-r-- root/root 2422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r5a_mlz.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r5n_r5p.sdf -rw-rw-r-- root/root 2314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r5n_rp5.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r5n_tpp.sdf -rw-rw-r-- root/root 8251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r5p_mk1.sdf -rw-rw-r-- root/root 7611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r5q_1un.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r5t_anp.sdf -rw-rw-r-- root/root 5373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r64_740.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r6s_bcn.sdf -rw-rw-r-- root/root 5826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r6w_llb.sdf -rw-rw-r-- root/root 5304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r6y_llc.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r71_ins.sdf -rw-rw-r-- root/root 3959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r7b_253.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r8g_dgt.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r8i_dtp.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r8j_dcp.sdf -rw-rw-r-- root/root 6356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r8o_t5x.sdf -rw-rw-r-- root/root 6710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r8p_t6f.sdf -rw-rw-r-- root/root 7014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r9c_grd.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r9j_nca.sdf -rw-rw-r-- root/root 2116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r9k_sgi.sdf -rw-rw-r-- root/root 5743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r9m_y11.sdf -rw-rw-r-- root/root 6392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r9n_y14.sdf -rw-rw-r-- root/root 6202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r9o_y15.sdf -rw-rw-r-- root/root 5031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r9s_255.sdf -rw-rw-r-- root/root 807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r9s_tfa.sdf -rw-rw-r-- root/root 4087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r9w_23c.sdf -rw-rw-r-- root/root 4355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2r9x_wh6.sdf -rw-rw-r-- root/root 2954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rah_11p.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rbe_zmg.sdf -rw-rw-r-- root/root 84 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rch_243.sdf -rw-rw-r-- root/root 4704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rcl_t25.sdf -rw-rw-r-- root/root 3903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rcw_aai.sdf -rw-rw-r-- root/root 4924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rd2_qsi.sdf -rw-rw-r-- root/root 3123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rd6_78p.sdf -rw-rw-r-- root/root 3929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rdd_aic.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rdj_tmp.sdf -rw-rw-r-- root/root 3525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rdn_1pl.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rdt_2rd.sdf -rw-rw-r-- root/root 4841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2re8_gsu.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2reh_fad.sdf -rw-rw-r-- root/root 6025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rew_rew.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rf2_mrx.sdf -rw-rw-r-- root/root 2436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rfh_23n.sdf -rw-rw-r-- root/root 7265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rfn_am7.sdf -rw-rw-r-- root/root 4864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rfs_am8.sdf -rw-rw-r-- root/root 4561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rg5_279.sdf -rw-rw-r-- root/root 5470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rg6_287.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rga_gnp.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rgb_gnp.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rgc_gnp.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rgd_gnp.sdf -rw-rw-r-- root/root 5461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rgp_hyz.sdf -rw-rw-r-- root/root 5743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rgu_356.sdf -rw-rw-r-- root/root 3997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rh1_cau.sdf -rw-rw-r-- root/root 3039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rh9_igp.sdf -rw-rw-r-- root/root 2810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rhc_emo.sdf -rw-rw-r-- root/root 2810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rhr_emo.sdf -rw-rw-r-- root/root 2432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rht_c1e.sdf -rw-rw-r-- root/root 2683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rhu_mly.sdf -rw-rw-r-- root/root 2442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rhw_c0e.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rhw_mli.sdf -rw-rw-r-- root/root 2422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rhy_mlz.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ri6_mli.sdf -rw-rw-r-- root/root 2550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ria_289.sdf -rw-rw-r-- root/root 2458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rib_gmh.sdf -rw-rw-r-- root/root 3525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rid_291.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rie_293.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rio_adp.sdf -rw-rw-r-- root/root 4202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rip_34q.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2riy_bhe.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rj0_udp.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rj1_bhe.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rj1_udp.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rj3_ura.sdf -rw-rw-r-- root/root 5542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rj4_ad7.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rj4_udp.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rj5_udp.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rj6_bhe.sdf -rw-rw-r-- root/root 5448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rj7_da8.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rj7_gdu.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rjh_dcs.sdf -rw-rw-r-- root/root 6052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rjp_886.sdf -rw-rw-r-- root/root 5662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rjq_bat.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rk1_nap.sdf -rw-rw-r-- root/root 657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rk7_oxl.sdf -rw-rw-r-- root/root 973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rk8_ppf.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rka_pga.sdf -rw-rw-r-- root/root 1493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rkd_3pp.sdf -rw-rw-r-- root/root 1149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rke_sat.sdf -rw-rw-r-- root/root 3889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rki_tt1.sdf -rw-rw-r-- root/root 6928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rku_r78.sdf -rw-rw-r-- root/root 5246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rl5_2rl.sdf -rw-rw-r-- root/root 6161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rlc_chd.sdf -rw-rw-r-- root/root 4099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2roy_p28.sdf -rw-rw-r-- root/root 3003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2rtp_imi.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2sim_dan.sdf -rw-rw-r-- root/root 3376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2sli_skd.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2sqc_c8e.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2src_anp.sdf -rw-rw-r-- root/root 5601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2tcl_ro4.sdf -rw-rw-r-- root/root 5123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2tct_ctc.sdf -rw-rw-r-- root/root 2268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2tdt_npi.sdf -rw-rw-r-- root/root 2525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2tmn_0fa.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2toh_hbi.sdf -rw-rw-r-- root/root 3668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2tps_tps.sdf -rw-rw-r-- root/root 3547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2trs_pls.sdf -rw-rw-r-- root/root 5113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2trt_tac.sdf -rw-rw-r-- root/root 4574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2tys_plt.sdf -rw-rw-r-- root/root 7695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uag_uma.sdf -rw-rw-r-- root/root 7130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2upj_u02.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2usn_in8.sdf -rw-rw-r-- root/root 4208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uue_mtz.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uuh_gsh.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uuh_lmu.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uui_lmt.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uui_plm.sdf -rw-rw-r-- root/root 4891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uuo_lk3.sdf -rw-rw-r-- root/root 4865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uup_lk4.sdf -rw-rw-r-- root/root 7079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uus_scr.sdf -rw-rw-r-- root/root 4436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uv2_gvd.sdf -rw-rw-r-- root/root 3391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uv5_amz.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uv6_amp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uv7_amp.sdf -rw-rw-r-- root/root 3605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uvn_ecn.sdf -rw-rw-r-- root/root 2633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uvo_ndg.sdf -rw-rw-r-- root/root 2874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uvy_gvi.sdf -rw-rw-r-- root/root 3524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uvz_gvj.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uw0_gvk.sdf -rw-rw-r-- root/root 2746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uw4_l15.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uw5_gvn.sdf -rw-rw-r-- root/root 4034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uw7_gvp.sdf -rw-rw-r-- root/root 2756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uw8_gvq.sdf -rw-rw-r-- root/root 4034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uw9_gvp.sdf -rw-rw-r-- root/root 4054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uwd_2gg.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uwh_plm.sdf -rw-rw-r-- root/root 4555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uwl_895.sdf -rw-rw-r-- root/root 4814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uwo_701.sdf -rw-rw-r-- root/root 4721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uwp_894.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uxh_que.sdf -rw-rw-r-- root/root 3128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uxi_g50.sdf -rw-rw-r-- root/root 8024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uxn_fda.sdf -rw-rw-r-- root/root 5113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uxo_tac.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uxp_clm.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uxu_nar.sdf -rw-rw-r-- root/root 9639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uxx_faj.sdf -rw-rw-r-- root/root 1987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uy3_h33.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uy4_azm.sdf -rw-rw-r-- root/root 2354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uy5_h35.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uyc_sah.sdf -rw-rw-r-- root/root 4439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uyi_k02.sdf -rw-rw-r-- root/root 4705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uym_k03.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uz1_tpp.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uz4_sah.sdf -rw-rw-r-- root/root 1454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uz9_xan.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uzi_gtp.sdf -rw-rw-r-- root/root 3464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uzl_c94.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uzt_ss3.sdf -rw-rw-r-- root/root 6242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uzv_ss5.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2uzw_ss4.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v00_v15.sdf -rw-rw-r-- root/root 6009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v0i_ud1.sdf -rw-rw-r-- root/root 1655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v0j_h2u.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v0k_udp.sdf -rw-rw-r-- root/root 2685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v0l_uri.sdf -rw-rw-r-- root/root 5829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v0m_kln.sdf -rw-rw-r-- root/root 8143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v0z_c41.sdf -rw-rw-r-- root/root 7259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v10_c61.sdf -rw-rw-r-- root/root 6985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v11_c80.sdf -rw-rw-r-- root/root 7268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v12_c39.sdf -rw-rw-r-- root/root 6749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v13_c40.sdf -rw-rw-r-- root/root 6950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v16_c47.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v2a_13p.sdf -rw-rw-r-- root/root 4772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v2q_nvg.sdf -rw-rw-r-- root/root 4512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v2v_v12.sdf -rw-rw-r-- root/root 5267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v2z_cdm.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v30_u5p.sdf -rw-rw-r-- root/root 2768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v34_ctn.sdf -rw-rw-r-- root/root 3232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v3d_nbv.sdf -rw-rw-r-- root/root 4527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v3e_nnd.sdf -rw-rw-r-- root/root 2951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v3f_btb.sdf -rw-rw-r-- root/root 5827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v3h_i25.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v3i_xx6.sdf -rw-rw-r-- root/root 5838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v3o_i26.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v3r_xx7.sdf -rw-rw-r-- root/root 1303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v3u_dsn.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v3w_tpp.sdf -rw-rw-r-- root/root 2626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v42_nds.sdf -rw-rw-r-- root/root 3091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v4c_kdn.sdf -rw-rw-r-- root/root 3231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v4l_abj.sdf -rw-rw-r-- root/root 2643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v4m_f6r.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v4q_dgt.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v4r_dgt.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v5x_v5x.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v5z_fad.sdf -rw-rw-r-- root/root 3569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v5z_sag.sdf -rw-rw-r-- root/root 4448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v6k_tgg.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v74_sah.sdf -rw-rw-r-- root/root 3443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v77_pay.sdf -rw-rw-r-- root/root 5910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v7a_627.sdf -rw-rw-r-- root/root 2496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v7k_dtr.sdf -rw-rw-r-- root/root 2507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v7m_dte.sdf -rw-rw-r-- root/root 5150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v7o_drn.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v7t_sah.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v7u_sam.sdf -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v7v_5fd.sdf -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v7w_5fd.sdf -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v7x_5fd.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v7z_adp.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v8p_cdp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v8q_amp.sdf -rw-rw-r-- root/root 6690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v91_s55.sdf -rw-rw-r-- root/root 3214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v9c_mre.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2v9w_dct.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2va3_dgt.sdf -rw-rw-r-- root/root 3247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vag_v25.sdf -rw-rw-r-- root/root 6674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vaq_vaw.sdf -rw-rw-r-- root/root 2036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2var_kdf.sdf -rw-rw-r-- root/root 2023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2var_kdg.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vau_v20.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vb8_tlm.sdf -rw-rw-r-- root/root 2590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vba_p4t.sdf -rw-rw-r-- root/root 4336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vbb_vaz.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vbd_v10.sdf -rw-rw-r-- root/root 4140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vbp_vb1.sdf -rw-rw-r-- root/root 5459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vc2_180.sdf -rw-rw-r-- root/root 3943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vc7_ht5.sdf -rw-rw-r-- root/root 1269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vce_tc7.sdf -rw-rw-r-- root/root 5389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vce_u2f.sdf -rw-rw-r-- root/root 1432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vcf_isz.sdf -rw-rw-r-- root/root 4596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vcg_s17.sdf -rw-rw-r-- root/root 5886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vci_2gj.sdf -rw-rw-r-- root/root 5109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vcj_2eq.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vck_bla.sdf -rw-rw-r-- root/root 4577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vcm_m11.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vcq_d25.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vct_asd.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vcv_asd.sdf -rw-rw-r-- root/root 2071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vcw_zza.sdf -rw-rw-r-- root/root 2357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vcx_d26.sdf -rw-rw-r-- root/root 2014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vcz_vc3.sdf -rw-rw-r-- root/root 3758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vd0_d27.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vd1_d28.sdf -rw-rw-r-- root/root 5404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vd4_p21.sdf -rw-rw-r-- root/root 4785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vd5_bi8.sdf -rw-rw-r-- root/root 1621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vd7_pd2.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vdb_dka.sdf -rw-rw-r-- root/root 2849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vdb_nps.sdf -rw-rw-r-- root/root 5890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vdm_agg.sdf -rw-rw-r-- root/root 5046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vdy_hcy.sdf -rw-rw-r-- root/root 4505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ve1_w2x.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ve3_rea.sdf -rw-rw-r-- root/root 2443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2veg_pmm.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vek_asf.sdf -rw-rw-r-- root/root 4597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ves_gvr.sdf -rw-rw-r-- root/root 5882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2veu_iz1.sdf -rw-rw-r-- root/root 6142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vev_iz2.sdf -rw-rw-r-- root/root 5706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vew_iz3.sdf -rw-rw-r-- root/root 6288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vex_iz4.sdf -rw-rw-r-- root/root 6382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vey_iz5.sdf -rw-rw-r-- root/root 4571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vf3_gvs.sdf -rw-rw-r-- root/root 2738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vf5_glp.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vfh_3pg.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vfi_3pg.sdf -rw-rw-r-- root/root 1906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vfs_xyl.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vft_sor.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vg0_gpp.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vg1_fpp.sdf -rw-rw-r-- root/root 860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vg2_dpo.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vg3_gpp.sdf -rw-rw-r-- root/root 3433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vg5_nnc.sdf -rw-rw-r-- root/root 3433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vg6_nnb.sdf -rw-rw-r-- root/root 3433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vg7_nni.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vg8_udp.sdf -rw-rw-r-- root/root 2659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vgc_v35.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vgk_rez.sdf -rw-rw-r-- root/root 5095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vgo_ad5.sdf -rw-rw-r-- root/root 2527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vgp_ad6.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vgr_bla.sdf -rw-rw-r-- root/root 5377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vh0_gsi.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vh5_gtp.sdf -rw-rw-r-- root/root 5226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vh6_gsv.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vhe_coa.sdf -rw-rw-r-- root/root 4331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vi0_vam.sdf -rw-rw-r-- root/root 3896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vi5_y19.sdf -rw-rw-r-- root/root 2711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vin_505.sdf -rw-rw-r-- root/root 2237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vio_l1o.sdf -rw-rw-r-- root/root 4101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vip_l1r.sdf -rw-rw-r-- root/root 4953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2viq_d55.sdf -rw-rw-r-- root/root 5059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2viv_vg2.sdf -rw-rw-r-- root/root 5673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2viw_d56.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vj1_bez.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vj8_ha2.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vk8_tpp.sdf -rw-rw-r-- root/root 6256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vkf_cf2.sdf -rw-rw-r-- root/root 4123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vkg_cf4.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vkl_mlt.sdf -rw-rw-r-- root/root 2430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vku_dbe.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vl2_bez.sdf -rw-rw-r-- root/root 4594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vle_dzn.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vlf_pli.sdf -rw-rw-r-- root/root 3900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vlh_pm9.sdf -rw-rw-r-- root/root 5280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vn0_tdz.sdf -rw-rw-r-- root/root 4436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vn9_gvd.sdf -rw-rw-r-- root/root 2459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vnp_ded.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vnt_qgg.sdf -rw-rw-r-- root/root 3028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vnw_m01.sdf -rw-rw-r-- root/root 2768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vny_m02.sdf -rw-rw-r-- root/root 4033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vo0_m03.sdf -rw-rw-r-- root/root 4293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vo3_m04.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vo6_m05.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vp2_dgt.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vp4_dcp.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vp5_dcz.sdf -rw-rw-r-- root/root 3152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vp6_5fu.sdf -rw-rw-r-- root/root 3038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vp9_doc.sdf -rw-rw-r-- root/root 1848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vpn_4cs.sdf -rw-rw-r-- root/root 1942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vpo_6cs.sdf -rw-rw-r-- root/root 2694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vpp_geo.sdf -rw-rw-r-- root/root 4854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vpr_tdc.sdf -rw-rw-r-- root/root 1424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vq5_hba.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vq5_ldp.sdf -rw-rw-r-- root/root 1847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vq6_fp1.sdf -rw-rw-r-- root/root 3898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vqm_ha3.sdf -rw-rw-r-- root/root 4161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vqo_tfg.sdf -rw-rw-r-- root/root 4161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vqq_tfg.sdf -rw-rw-r-- root/root 2953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vqs_bvd.sdf -rw-rw-r-- root/root 3898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vqv_ha3.sdf -rw-rw-r-- root/root 4476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vrj_ncw.sdf -rw-rw-r-- root/root 6278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vrx_447.sdf -rw-rw-r-- root/root 4603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vs4_nlc.sdf -rw-rw-r-- root/root 4003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vsl_15p.sdf -rw-rw-r-- root/root 1785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vsu_v55.sdf -rw-rw-r-- root/root 3802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vt4_p32.sdf -rw-rw-r-- root/root 4875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vtd_lkm.sdf -rw-rw-r-- root/root 4865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vte_ik4.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vtk_adp.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vtk_thm.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vtz_coa.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vu0_coa.sdf -rw-rw-r-- root/root 4820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vu1_opi.sdf -rw-rw-r-- root/root 4820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vu2_pn5.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vue_bla.sdf -rw-rw-r-- root/root 7572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vuf_fua.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vuk_p83.sdf -rw-rw-r-- root/root 3178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vur_yx1.sdf -rw-rw-r-- root/root 5532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vv9_im9.sdf -rw-rw-r-- root/root 5139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vvc_lzf.sdf -rw-rw-r-- root/root 2917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vvn_nht.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vvo_a6p.sdf -rw-rw-r-- root/root 2288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vvp_r52.sdf -rw-rw-r-- root/root 2381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vvq_r10.sdf -rw-rw-r-- root/root 5449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vvt_i24.sdf -rw-rw-r-- root/root 4785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vvu_h22.sdf -rw-rw-r-- root/root 4284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vvv_h21.sdf -rw-rw-r-- root/root 6960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vw5_bc6.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vwb_anp.sdf -rw-rw-r-- root/root 7337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vwc_bc2.sdf -rw-rw-r-- root/root 2032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vwg_lgc.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vwi_anp.sdf -rw-rw-r-- root/root 5140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vwl_lzh.sdf -rw-rw-r-- root/root 4878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vwn_h25.sdf -rw-rw-r-- root/root 4796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vwo_lzg.sdf -rw-rw-r-- root/root 5473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vwu_7x1.sdf -rw-rw-r-- root/root 4490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vwv_7x3.sdf -rw-rw-r-- root/root 4514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vww_7x2.sdf -rw-rw-r-- root/root 3911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vwx_7x4.sdf -rw-rw-r-- root/root 3985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vwy_7x5.sdf -rw-rw-r-- root/root 4161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vwz_7x6.sdf -rw-rw-r-- root/root 4602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vx0_7x7.sdf -rw-rw-r-- root/root 3809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vx1_7x8.sdf -rw-rw-r-- root/root 4959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vx3_d15.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vx3_p6g.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vx9_rbf.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vxn_pgh.sdf -rw-rw-r-- root/root 20169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vyp_rh9.sdf -rw-rw-r-- root/root 4240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vz6_fef.sdf -rw-rw-r-- root/root 6661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vz7_pxi.sdf -rw-rw-r-- root/root 7368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vzm_nrb.sdf -rw-rw-r-- root/root 3673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vzq_unf.sdf -rw-rw-r-- root/root 2281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2vzs_gcs.sdf -rw-rw-r-- root/root 5082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w05_frt.sdf -rw-rw-r-- root/root 4315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w06_frv.sdf -rw-rw-r-- root/root 2021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w08_tpo.sdf -rw-rw-r-- root/root 4581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w09_cm9.sdf -rw-rw-r-- root/root 4229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w0a_cii.sdf -rw-rw-r-- root/root 3915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w0b_cmw.sdf -rw-rw-r-- root/root 4536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w0d_cgs.sdf -rw-rw-r-- root/root 4912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w0j_zat.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w0u_c7c.sdf -rw-rw-r-- root/root 5403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w0v_lzr.sdf -rw-rw-r-- root/root 6640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w0w_lzs.sdf -rw-rw-r-- root/root 1621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w0x_pd2.sdf -rw-rw-r-- root/root 5732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w15_wr2.sdf -rw-rw-r-- root/root 5700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w17_i19.sdf -rw-rw-r-- root/root 2585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w1a_tsa.sdf -rw-rw-r-- root/root 4888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w1c_l0c.sdf -rw-rw-r-- root/root 5055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w1e_l0e.sdf -rw-rw-r-- root/root 3359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w1f_l0f.sdf -rw-rw-r-- root/root 4863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w1g_l0g.sdf -rw-rw-r-- root/root 4772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w1i_l0i.sdf -rw-rw-r-- root/root 4336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w26_riv.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w3a_top.sdf -rw-rw-r-- root/root 4629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w3b_vg9.sdf -rw-rw-r-- root/root 6590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w3l_dro.sdf -rw-rw-r-- root/root 1751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w4i_dgl.sdf -rw-rw-r-- root/root 4245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w4i_vga.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w4j_adp.sdf -rw-rw-r-- root/root 3824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w4o_dki.sdf -rw-rw-r-- root/root 7143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w4q_cbw.sdf -rw-rw-r-- root/root 3012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w4x_stz.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w5a_adp.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w5b_ags.sdf -rw-rw-r-- root/root 3965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w5p_cl8.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w5u_fmn.sdf -rw-rw-r-- root/root 2653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w5u_ic3.sdf -rw-rw-r-- root/root 3070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w66_hq6.sdf -rw-rw-r-- root/root 2717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w67_f34.sdf -rw-rw-r-- root/root 5863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w6c_bm4.sdf -rw-rw-r-- root/root 5484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w75_n8e.sdf -rw-rw-r-- root/root 4162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w7x_d1a.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w83_gtp.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w8k_dgt.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w8l_dgt.sdf -rw-rw-r-- root/root 6041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w8y_486.sdf -rw-rw-r-- root/root 4343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w8y_ndr.sdf -rw-rw-r-- root/root 1405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w93_py0.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w93_tpp.sdf -rw-rw-r-- root/root 3924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w98_p1z.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w9a_dgt.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w9h_top.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2w9s_top.sdf -rw-rw-r-- root/root 1700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wa3_a29.sdf -rw-rw-r-- root/root 1687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wa4_069.sdf -rw-rw-r-- root/root 3057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2waj_snb.sdf -rw-rw-r-- root/root 4733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wb5_vgb.sdf -rw-rw-r-- root/root 2798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wbb_ro3.sdf -rw-rw-r-- root/root 3059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wbd_ro5.sdf -rw-rw-r-- root/root 4476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wbg_lgs.sdf -rw-rw-r-- root/root 4476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wc3_am3.sdf -rw-rw-r-- root/root 4476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wc4_amf.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wc5_bom.sdf -rw-rw-r-- root/root 4527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wca_np6.sdf -rw-rw-r-- root/root 2595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wcg_mt5.sdf -rw-rw-r-- root/root 3985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wch_b7m.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wcj_m21.sdf -rw-rw-r-- root/root 4151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wcl_b8m.sdf -rw-rw-r-- root/root 3985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wcm_b9m.sdf -rw-rw-r-- root/root 3216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wd1_zzy.sdf -rw-rw-r-- root/root 4383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wd2_ms5.sdf -rw-rw-r-- root/root 3534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wd3_ms4.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wd9_ibp.sdf -rw-rw-r-- root/root 6436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wea_pp6.sdf -rw-rw-r-- root/root 6329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2web_pp4.sdf -rw-rw-r-- root/root 6329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wec_pp5.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wel_k88.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wep_adp.sdf -rw-rw-r-- root/root 7159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2weq_gdm.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wer_rdc.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wew_myr.sdf -rw-rw-r-- root/root 4859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wex_gym.sdf -rw-rw-r-- root/root 4197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wey_ev1.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wf5_bg6.sdf -rw-rw-r-- root/root 463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wf5_mgf.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wf6_bg6.sdf -rw-rw-r-- root/root 2822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wf7_g7p.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wf8_g1p.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wf9_g6p.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wge_tlm.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wgh_dtp.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wgj_vgh.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wgz_147.sdf -rw-rw-r-- root/root 3798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wh8_ii2.sdf -rw-rw-r-- root/root 2780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2whf_ii4.sdf -rw-rw-r-- root/root 4317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2whi_1az.sdf -rw-rw-r-- root/root 3801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2who_vgi.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2whp_hi6.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2whq_hi6.sdf -rw-rw-r-- root/root 3581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2whr_k27.sdf -rw-rw-r-- root/root 5839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2whw_1d4.sdf -rw-rw-r-- root/root 3699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wi5_zz5.sdf -rw-rw-r-- root/root 4940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wi7_2kl.sdf -rw-rw-r-- root/root 5579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wi9_1d2.sdf -rw-rw-r-- root/root 5982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wih_p48.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wj4_hqd.sdf -rw-rw-r-- root/root 2048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wj6_zz8.sdf -rw-rw-r-- root/root 5042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wjp_d17.sdf -rw-rw-r-- root/root 1173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wk6_iur.sdf -rw-rw-r-- root/root 3196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wk9_plg.sdf -rw-rw-r-- root/root 5447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wka_p89.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wkj_pyr.sdf -rw-rw-r-- root/root 7005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wkm_pfy.sdf -rw-rw-r-- root/root 3863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wks_cb6.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wkt_coa.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wkv_coa.sdf -rw-rw-r-- root/root 2845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wky_ibc.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wl4_coa.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wl5_coa.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wls_x13.sdf -rw-rw-r-- root/root 1311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wly_dio.sdf -rw-rw-r-- root/root 1311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wlz_dio.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wm1_13p.sdf -rw-rw-r-- root/root 2713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wm3_nfl.sdf -rw-rw-r-- root/root 5451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wm4_vgj.sdf -rw-rw-r-- root/root 2432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wmd_zz0.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wmo_gtp.sdf -rw-rw-r-- root/root 1130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wnz_2op.sdf -rw-rw-r-- root/root 1131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wnz_lac.sdf -rw-rw-r-- root/root 4959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wo6_d15.sdf -rw-rw-r-- root/root 3464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wo8_077.sdf -rw-rw-r-- root/root 5449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wo9_023.sdf -rw-rw-r-- root/root 3911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wo9_068.sdf -rw-rw-r-- root/root 3571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2woa_576.sdf -rw-rw-r-- root/root 4291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wog_zzd.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wom_zze.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wor_2an.sdf -rw-rw-r-- root/root 3150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wos_6an.sdf -rw-rw-r-- root/root 5471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wot_zzg.sdf -rw-rw-r-- root/root 4042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wou_zzf.sdf -rw-rw-r-- root/root 8636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wow_gcg.sdf -rw-rw-r-- root/root 3679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wp5_wp5.sdf -rw-rw-r-- root/root 4052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wp6_wp6.sdf -rw-rw-r-- root/root 5121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wpa_889.sdf -rw-rw-r-- root/root 3227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wpb_zzi.sdf -rw-rw-r-- root/root 5482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wpc_wp7.sdf -rw-rw-r-- root/root 4417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wpe_wpe.sdf -rw-rw-r-- root/root 4621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wpf_wpf.sdf -rw-rw-r-- root/root 5450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wq5_miy.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wq9_ola.sdf -rw-rw-r-- root/root 4588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wqb_qq1.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wqn_adp.sdf -rw-rw-r-- root/root 4405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wqo_vgk.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wr6_odt.sdf -rw-rw-r-- root/root 3848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wrm_qq3.sdf -rw-rw-r-- root/root 2351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wsx_nm2.sdf -rw-rw-r-- root/root 3874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wtc_vgm.sdf -rw-rw-r-- root/root 3721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wtd_zzk.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wtf_dtp.sdf -rw-rw-r-- root/root 3721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wti_wti.sdf -rw-rw-r-- root/root 4029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wtj_wtj.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wtk_anp.sdf -rw-rw-r-- root/root 4580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wtv_zzl.sdf -rw-rw-r-- root/root 3347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wu1_fgs.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wu3_hi6.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wu4_hbp.sdf -rw-rw-r-- root/root 3824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wu6_dki.sdf -rw-rw-r-- root/root 3247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wu7_v25.sdf -rw-rw-r-- root/root 3146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wue_kek.sdf -rw-rw-r-- root/root 4543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wuf_kem.sdf -rw-rw-r-- root/root 2355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wug_hpk.sdf -rw-rw-r-- root/root 3645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wv8_ddq.sdf -rw-rw-r-- root/root 3861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wv8_vgn.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wva_pyr.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wva_tpu.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wvg_tpu.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wvp_c8e.sdf -rw-rw-r-- root/root 3850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wwj_y28.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wx2_tpf.sdf -rw-rw-r-- root/root 3716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wx9_nge.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxb_dtu.sdf -rw-rw-r-- root/root 3455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxd_e18.sdf -rw-rw-r-- root/root 4287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxf_039.sdf -rw-rw-r-- root/root 5542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxg_zzn.sdf -rw-rw-r-- root/root 5542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxh_zzo.sdf -rw-rw-r-- root/root 5072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxi_s30.sdf -rw-rw-r-- root/root 6337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxj_rw3.sdf -rw-rw-r-- root/root 5889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxk_rw4.sdf -rw-rw-r-- root/root 4700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxl_zs4.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxm_zzm.sdf -rw-rw-r-- root/root 3418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxn_dln.sdf -rw-rw-r-- root/root 4711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxo_zzp.sdf -rw-rw-r-- root/root 5662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxp_gd9.sdf -rw-rw-r-- root/root 5244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxq_zzq.sdf -rw-rw-r-- root/root 4752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wxv_wxv.sdf -rw-rw-r-- root/root 3310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wyc_3la.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wyd_dao.sdf -rw-rw-r-- root/root 4826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wyg_461.sdf -rw-rw-r-- root/root 3716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wyk_nge.sdf -rw-rw-r-- root/root 3091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wyp_kdn.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wyz_u5p.sdf -rw-rw-r-- root/root 1930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wz0_zzt.sdf -rw-rw-r-- root/root 3582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wz6_zo0.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wzb_3pg.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wzb_adp.sdf -rw-rw-r-- root/root 463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wzb_mgf.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wzc_3pg.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wzc_adp.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wzd_3pg.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wzd_adp.sdf -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wzh_ngo.sdf -rw-rw-r-- root/root 2495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2wzi_5fn.sdf -rw-rw-r-- root/root 2650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x05_x05.sdf -rw-rw-r-- root/root 2650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x09_x09.sdf -rw-rw-r-- root/root 3675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x0h_14t.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x0l_fad.sdf -rw-rw-r-- root/root 2078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x0u_x0u.sdf -rw-rw-r-- root/root 1784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x0v_x0v.sdf -rw-rw-r-- root/root 2314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x0w_x0w.sdf -rw-rw-r-- root/root 2943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x0y_x0t.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x13_3pg.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x13_adp.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x14_3pg.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x14_acp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x15_adp.sdf -rw-rw-r-- root/root 2148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x15_x15.sdf -rw-rw-r-- root/root 2403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x1e_x1e.sdf -rw-rw-r-- root/root 3718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x1h_x1h.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x23_nad.sdf -rw-rw-r-- root/root 4057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x23_tcu.sdf -rw-rw-r-- root/root 3144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x2k_x2k.sdf -rw-rw-r-- root/root 3155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x2l_x2l.sdf -rw-rw-r-- root/root 2959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x2m_x2m.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x2r_x2o.sdf -rw-rw-r-- root/root 2653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x2w_x2w.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x38_ic8.sdf -rw-rw-r-- root/root 4401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x39_x39.sdf -rw-rw-r-- root/root 3096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x3t_gyv.sdf -rw-rw-r-- root/root 3277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x4f_16x.sdf -rw-rw-r-- root/root 5744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x4z_x4z.sdf -rw-rw-r-- root/root 5041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x5o_vsv.sdf -rw-rw-r-- root/root 6400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x5w_k2b.sdf -rw-rw-r-- root/root 2506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x68_cte.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x6c_pc.sdf -rw-rw-r-- root/root 6118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x6d_x6d.sdf -rw-rw-r-- root/root 6109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x6e_ym4.sdf -rw-rw-r-- root/root 4864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x6o_2tc.sdf -rw-rw-r-- root/root 4447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x72_ret.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x7c_kz9.sdf -rw-rw-r-- root/root 3581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x7d_egb.sdf -rw-rw-r-- root/root 4051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x7e_x7e.sdf -rw-rw-r-- root/root 3470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x7f_824.sdf -rw-rw-r-- root/root 2623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x7g_pvb.sdf -rw-rw-r-- root/root 2953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x7h_pfn.sdf -rw-rw-r-- root/root 4811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x7s_wzc.sdf -rw-rw-r-- root/root 5436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x7t_wzb.sdf -rw-rw-r-- root/root 4797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x7u_wza.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x7w_bcn.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x8z_x8z.sdf -rw-rw-r-- root/root 4426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x90_eal.sdf -rw-rw-r-- root/root 5381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x91_lpr.sdf -rw-rw-r-- root/root 5060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x92_x92.sdf -rw-rw-r-- root/root 5321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x93_x93.sdf -rw-rw-r-- root/root 4671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x94_x94.sdf -rw-rw-r-- root/root 6311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x95_x95.sdf -rw-rw-r-- root/root 7243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x96_rx3.sdf -rw-rw-r-- root/root 5845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x97_rx4.sdf -rw-rw-r-- root/root 5124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x9d_itc.sdf -rw-rw-r-- root/root 7986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x9e_sve.sdf -rw-rw-r-- root/root 3974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x9f_x9f.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x9i_bla.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2x9j_bla.sdf -rw-rw-r-- root/root 3522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xa4_az5.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xae_2xa.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xal_i6p.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xam_adp.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xam_i6p.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xan_5my.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xan_anp.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xao_5my.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xar_i6p.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xat_clm.sdf -rw-rw-r-- root/root 4769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xb5_i7t.sdf -rw-rw-r-- root/root 7397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xb7_gui.sdf -rw-rw-r-- root/root 3662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xb8_xnw.sdf -rw-rw-r-- root/root 3662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xb9_xnw.sdf -rw-rw-r-- root/root 5585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xba_571.sdf -rw-rw-r-- root/root 5375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xbj_xbj.sdf -rw-rw-r-- root/root 3005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xbl_m7p.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xbp_atp.sdf -rw-rw-r-- root/root 5244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xbv_xbv.sdf -rw-rw-r-- root/root 5243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xbw_455.sdf -rw-rw-r-- root/root 5327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xbx_rr8.sdf -rw-rw-r-- root/root 5255 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xc3_rt8.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xca_dgt.sdf -rw-rw-r-- root/root 3038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xca_doc.sdf -rw-rw-r-- root/root 5025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xch_ckg.sdf -rw-rw-r-- root/root 6548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xck_mh4.sdf -rw-rw-r-- root/root 4013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xd6_xd6.sdf -rw-rw-r-- root/root 2953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xd9_xd9.sdf -rw-rw-r-- root/root 3487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xda_jps.sdf -rw-rw-r-- root/root 3110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xe2_oes.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xe7_adp.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xe8_acp.sdf -rw-rw-r-- root/root 11114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xef_ar8.sdf -rw-rw-r-- root/root 8798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xeg_ci9.sdf -rw-rw-r-- root/root 7430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xei_ark.sdf -rw-rw-r-- root/root 7336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xej_okd.sdf -rw-rw-r-- root/root 3888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xfh_cl6.sdf -rw-rw-r-- root/root 5661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xg4_xc2.sdf -rw-rw-r-- root/root 5154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xg5_ec2.sdf -rw-rw-r-- root/root 5401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xg5_ec5.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xgz_pep.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xh0_pep.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xh2_2pg.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xh4_2pg.sdf -rw-rw-r-- root/root 5166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xh5_x37.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xh7_2pg.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xhi_8og.sdf -rw-rw-r-- root/root 6389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xhm_k26.sdf -rw-rw-r-- root/root 3868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xhr_c0p.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xi3_gtp.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xi4_aft.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xi4_pge.sdf -rw-rw-r-- root/root 5079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xik_j60.sdf -rw-rw-r-- root/root 5567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xir_00j.sdf -rw-rw-r-- root/root 4280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xj1_xj1.sdf -rw-rw-r-- root/root 4274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xj2_985.sdf -rw-rw-r-- root/root 3083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xj7_gc2.sdf -rw-rw-r-- root/root 5510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xjx_xjx.sdf -rw-rw-r-- root/root 4018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xk3_xk3.sdf -rw-rw-r-- root/root 4936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xk4_ol2.sdf -rw-rw-r-- root/root 4125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xk6_eqh.sdf -rw-rw-r-- root/root 5257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xk7_30e.sdf -rw-rw-r-- root/root 4676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xk8_5r1.sdf -rw-rw-r-- root/root 4257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xk9_xk9.sdf -rw-rw-r-- root/root 4582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xkc_4vq.sdf -rw-rw-r-- root/root 4313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xkd_t3m.sdf -rw-rw-r-- root/root 4029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xke_wi2.sdf -rw-rw-r-- root/root 4737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xkf_bx1.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xkr_pg4.sdf -rw-rw-r-- root/root 4112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xkw_p1b.sdf -rw-rw-r-- root/root 2644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xm1_ltm.sdf -rw-rw-r-- root/root 2737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xm2_log.sdf -rw-rw-r-- root/root 3782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xm8_b4w.sdf -rw-rw-r-- root/root 4431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xm9_lwh.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xml_oga.sdf -rw-rw-r-- root/root 4556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xmy_cdk.sdf -rw-rw-r-- root/root 3028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xn3_id8.sdf -rw-rw-r-- root/root 2969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xn5_fun.sdf -rw-rw-r-- root/root 4441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xne_ash.sdf -rw-rw-r-- root/root 5503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xng_a0h.sdf -rw-rw-r-- root/root 5952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xnm_wgz.sdf -rw-rw-r-- root/root 4274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xnn_430.sdf -rw-rw-r-- root/root 5692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xno_ed8.sdf -rw-rw-r-- root/root 6212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xnp_wcx.sdf -rw-rw-r-- root/root 4342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xo8_ad9.sdf -rw-rw-r-- root/root 5891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xog_sfb.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xov_bng.sdf -rw-rw-r-- root/root 2433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xp3_b21.sdf -rw-rw-r-- root/root 2071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xp4_g14.sdf -rw-rw-r-- root/root 2331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xp5_4ff.sdf -rw-rw-r-- root/root 2342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xp6_4g2.sdf -rw-rw-r-- root/root 2357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xp7_4f8.sdf -rw-rw-r-- root/root 7693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xp8_12p.sdf -rw-rw-r-- root/root 3417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xp8_4fy.sdf -rw-rw-r-- root/root 4147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xp9_4g8.sdf -rw-rw-r-- root/root 3321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xpa_4g5.sdf -rw-rw-r-- root/root 3876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xpb_4ge.sdf -rw-rw-r-- root/root 5498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xpc_051.sdf -rw-rw-r-- root/root 4726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xpk_z0m.sdf -rw-rw-r-- root/root 5450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xpv_miy.sdf -rw-rw-r-- root/root 5205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xpw_otc.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xq0_bes.sdf -rw-rw-r-- root/root 1377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xqj_vx.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xrf_ura.sdf -rw-rw-r-- root/root 5112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xrl_dxt.sdf -rw-rw-r-- root/root 6004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xru_400.sdf -rw-rw-r-- root/root 2079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xsh_dc5.sdf -rw-rw-r-- root/root 4181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xsi_9ne.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xsi_myr.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xtk_azm.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xtu_bng.sdf -rw-rw-r-- root/root 7525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xtv_mc3.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xtz_gsp.sdf -rw-rw-r-- root/root 2951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xu3_btb.sdf -rw-rw-r-- root/root 5235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xu3_xu3.sdf -rw-rw-r-- root/root 1750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xuc_xrg.sdf -rw-rw-r-- root/root 4936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xud_dme.sdf -rw-rw-r-- root/root 8613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xuf_tz4.sdf -rw-rw-r-- root/root 8614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xuj_tz5.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xum_oga.sdf -rw-rw-r-- root/root 6857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xuz_eb4.sdf -rw-rw-r-- root/root 6306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xv1_eca.sdf -rw-rw-r-- root/root 6230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xvd_as6.sdf -rw-rw-r-- root/root 2399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xvn_kls.sdf -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xvq_9ds.sdf -rw-rw-r-- root/root 4005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xvu_9dn.sdf -rw-rw-r-- root/root 4005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xvv_9dn.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xvv_myr.sdf -rw-rw-r-- root/root 4782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xvw_9nr.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xvw_myr.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xw0_9nf.sdf -rw-rw-r-- root/root 4150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xw1_9nv.sdf -rw-rw-r-- root/root 4476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xwd_lgs.sdf -rw-rw-r-- root/root 4476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xwe_amf.sdf -rw-rw-r-- root/root 3704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xwo_slm.sdf -rw-rw-r-- root/root 3908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xx2_13c.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xx3_adp.sdf -rw-rw-r-- root/root 3213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xx3_tae.sdf -rw-rw-r-- root/root 4889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xx4_13i.sdf -rw-rw-r-- root/root 5456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xx5_13n.sdf -rw-rw-r-- root/root 1997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xxz_8xq.sdf -rw-rw-r-- root/root 8076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xy9_3es.sdf -rw-rw-r-- root/root 2615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xya_7l4.sdf -rw-rw-r-- root/root 8076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xyd_3es.sdf -rw-rw-r-- root/root 5020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xyj_wlm.sdf -rw-rw-r-- root/root 5555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xyn_vx6.sdf -rw-rw-r-- root/root 3605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xyu_q9g.sdf -rw-rw-r-- root/root 4972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xyw_08s.sdf -rw-rw-r-- root/root 4688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xyx_z00.sdf -rw-rw-r-- root/root 3761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xzg_vh1.sdf -rw-rw-r-- root/root 3090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xzi_kdm.sdf -rw-rw-r-- root/root 2832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xzj_kfn.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2xzw_atp.sdf -rw-rw-r-- root/root 4063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y00_y00.sdf -rw-rw-r-- root/root 4627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y02_whj.sdf -rw-rw-r-- root/root 2907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y03_5fw.sdf -rw-rw-r-- root/root 3414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y04_68h.sdf -rw-rw-r-- root/root 5565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y05_ral.sdf -rw-rw-r-- root/root 3651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y0j_axc.sdf -rw-rw-r-- root/root 2858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y1d_34f.sdf -rw-rw-r-- root/root 2858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y1f_34f.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y1f_ndp.sdf -rw-rw-r-- root/root 3117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y1g_fm5.sdf -rw-rw-r-- root/root 5041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y1o_t26.sdf -rw-rw-r-- root/root 5073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y1w_849.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y1w_sfg.sdf -rw-rw-r-- root/root 5340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y1x_845.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y1x_sah.sdf -rw-rw-r-- root/root 4748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y2b_mhi.sdf -rw-rw-r-- root/root 3431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y2f_yi1.sdf -rw-rw-r-- root/root 2331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y2v_me2.sdf -rw-rw-r-- root/root 2621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y33_un9.sdf -rw-rw-r-- root/root 2621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y34_un9.sdf -rw-rw-r-- root/root 3216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y37_a54.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y37_h4b.sdf -rw-rw-r-- root/root 5662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y3a_gd9.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y3i_3pg.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y3i_la8.sdf -rw-rw-r-- root/root 2185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y41_ipm.sdf -rw-rw-r-- root/root 9761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y46_miv.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y48_fad.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y4d_pg4.sdf -rw-rw-r-- root/root 6904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y4e_pp9.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y4i_atp.sdf -rw-rw-r-- root/root 6106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y5f_xwg.sdf -rw-rw-r-- root/root 5385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y5g_fjd.sdf -rw-rw-r-- root/root 5385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y5h_y5h.sdf -rw-rw-r-- root/root 4820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y5k_ycu.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y5l_ro8.sdf -rw-rw-r-- root/root 9855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y5n_myv.sdf -rw-rw-r-- root/root 4489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y60_m8f.sdf -rw-rw-r-- root/root 4958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y66_n04.sdf -rw-rw-r-- root/root 5052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y67_n21.sdf -rw-rw-r-- root/root 5052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y68_t04.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y6c_tqi.sdf -rw-rw-r-- root/root 5094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y6d_tqj.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y6f_m9f.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y6o_1n1.sdf -rw-rw-r-- root/root 3863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y71_cb6.sdf -rw-rw-r-- root/root 5067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y76_cb7.sdf -rw-rw-r-- root/root 4512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y77_cb8.sdf -rw-rw-r-- root/root 5074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y7j_b49.sdf -rw-rw-r-- root/root 4875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y7x_mza.sdf -rw-rw-r-- root/root 5383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y7z_c0z.sdf -rw-rw-r-- root/root 5137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y81_931.sdf -rw-rw-r-- root/root 3732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y85_137.sdf -rw-rw-r-- root/root 5644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y88_2er.sdf -rw-rw-r-- root/root 1580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y91_98j.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2y9q_anp.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ya7_zmr.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ya8_g39.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yaa_atp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yab_amp.sdf -rw-rw-r-- root/root 5942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yac_937.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yaj_4hp.sdf -rw-rw-r-- root/root 6512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yak_osv.sdf -rw-rw-r-- root/root 5594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yb9_ha0.sdf -rw-rw-r-- root/root 1667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ybk_2hg.sdf -rw-rw-r-- root/root 1667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ybp_2hg.sdf -rw-rw-r-- root/root 1668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ybs_s2g.sdf -rw-rw-r-- root/root 4501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ybt_dw0.sdf -rw-rw-r-- root/root 4241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ybu_cx9.sdf -rw-rw-r-- root/root 1667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yc0_2hg.sdf -rw-rw-r-- root/root 2536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yc3_mw5.sdf -rw-rw-r-- root/root 2732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yc5_6bc.sdf -rw-rw-r-- root/root 7460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yca_zm3.sdf -rw-rw-r-- root/root 5099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ycf_ycf.sdf -rw-rw-r-- root/root 2906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ycm_30a.sdf -rw-rw-r-- root/root 4297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ycn_p61.sdf -rw-rw-r-- root/root 4297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ycp_p61.sdf -rw-rw-r-- root/root 4382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ycq_upx.sdf -rw-rw-r-- root/root 5645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ycr_hcw.sdf -rw-rw-r-- root/root 3956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ycs_nxp.sdf -rw-rw-r-- root/root 1179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yct_9po.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yct_pli.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yct_plp.sdf -rw-rw-r-- root/root 3997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ycw_cau.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ycz_i32.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yd0_bes.sdf -rw-rw-r-- root/root 1668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yde_s2g.sdf -rw-rw-r-- root/root 2583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ydf_io3.sdf -rw-rw-r-- root/root 4014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ydi_ydi.sdf -rw-rw-r-- root/root 4023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ydj_ydj.sdf -rw-rw-r-- root/root 4029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ydk_ydk.sdf -rw-rw-r-- root/root 2467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ydm_slc.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ydo_adn.sdf -rw-rw-r-- root/root 2434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ydu_79w.sdf -rw-rw-r-- root/root 2115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ydv_nec.sdf -rw-rw-r-- root/root 4874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ydw_wsh.sdf -rw-rw-r-- root/root 2681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ydx_stl.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ye9_2d4.sdf -rw-rw-r-- root/root 4755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yek_eam.sdf -rw-rw-r-- root/root 4874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yem_wsh.sdf -rw-rw-r-- root/root 4441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yfe_yfe.sdf -rw-rw-r-- root/root 1990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yfj_1it.sdf -rw-rw-r-- root/root 2010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yfl_dc4.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yfx_vgh.sdf -rw-rw-r-- root/root 5565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yg2_s1p.sdf -rw-rw-r-- root/root 7159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yga_gdm.sdf -rw-rw-r-- root/root 7159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yge_gdm.sdf -rw-rw-r-- root/root 7159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ygf_gdm.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yic_tpp.sdf -rw-rw-r-- root/root 5184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yid_td7.sdf -rw-rw-r-- root/root 5560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yig_5el.sdf -rw-rw-r-- root/root 4334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yiq_yiq.sdf -rw-rw-r-- root/root 4548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yir_yir.sdf -rw-rw-r-- root/root 4830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yit_yit.sdf -rw-rw-r-- root/root 4457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yix_yix.sdf -rw-rw-r-- root/root 5220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yiy_yiy.sdf -rw-rw-r-- root/root 3306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yjd_yjd.sdf -rw-rw-r-- root/root 4527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ykb_ykb.sdf -rw-rw-r-- root/root 4468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ykc_ykc.sdf -rw-rw-r-- root/root 5023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yke_yke.sdf -rw-rw-r-- root/root 4840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yki_yki.sdf -rw-rw-r-- root/root 4639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ykj_ykj.sdf -rw-rw-r-- root/root 2731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ykm_ykn.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ylg_asc.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ylo_tes.sdf -rw-rw-r-- root/root 4844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ylo_ylo.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ylp_056.sdf -rw-rw-r-- root/root 4123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ylq_ylq.sdf -rw-rw-r-- root/root 4095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yly_su4.sdf -rw-rw-r-- root/root 4772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ym4_4ym.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ym5_ym5.sdf -rw-rw-r-- root/root 4227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ym8_ym8.sdf -rw-rw-r-- root/root 3750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ynf_whu.sdf -rw-rw-r-- root/root 3750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yng_whu.sdf -rw-rw-r-- root/root 3929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ynh_eur.sdf -rw-rw-r-- root/root 3575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yni_cxd.sdf -rw-rw-r-- root/root 4678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yoj_8y6.sdf -rw-rw-r-- root/root 7760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yol_ebn.sdf -rw-rw-r-- root/root 6400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yoo_k2b.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ypi_pga.sdf -rw-rw-r-- root/root 4464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ypu_i41.sdf -rw-rw-r-- root/root 3199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yqh_gn1.sdf -rw-rw-r-- root/root 6009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yqs_ud1.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yr6_be2.sdf -rw-rw-r-- root/root 2550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yvk_mru.sdf -rw-rw-r-- root/root 3246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ywp_a42.sdf -rw-rw-r-- root/root 9168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yxj_n3c.sdf -rw-rw-r-- root/root 2432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yxn_azy.sdf -rw-rw-r-- root/root 4603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yy1_nlc.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yy2_ibm.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yyj_4hp.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yym_4hp.sdf -rw-rw-r-- root/root 1550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yzb_urc.sdf -rw-rw-r-- root/root 1791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yzc_1al.sdf -rw-rw-r-- root/root 1071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2yze_nob.sdf -rw-rw-r-- root/root 4999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z0p_4pt.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z1z_mlt.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z1z_plp.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z20_plp.sdf -rw-rw-r-- root/root 1610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z24_dor.sdf -rw-rw-r-- root/root 1610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z25_dor.sdf -rw-rw-r-- root/root 1856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z25_ncd.sdf -rw-rw-r-- root/root 1610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z26_dor.sdf -rw-rw-r-- root/root 1856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z26_ncd.sdf -rw-rw-r-- root/root 1610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z27_dor.sdf -rw-rw-r-- root/root 1610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z28_dor.sdf -rw-rw-r-- root/root 1610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z29_dor.sdf -rw-rw-r-- root/root 1610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z2a_dor.sdf -rw-rw-r-- root/root 8765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z2p_dol.sdf -rw-rw-r-- root/root 3751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z2w_770.sdf -rw-rw-r-- root/root 4979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z3h_blo.sdf -rw-rw-r-- root/root 5062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z3i_bls.sdf -rw-rw-r-- root/root 9643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z3y_f2n.sdf -rw-rw-r-- root/root 4200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z3z_aio.sdf -rw-rw-r-- root/root 3607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z4b_dc8.sdf -rw-rw-r-- root/root 5954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z4w_749.sdf -rw-rw-r-- root/root 3592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z4x_252.sdf -rw-rw-r-- root/root 3592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z4y_252.sdf -rw-rw-r-- root/root 5246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z4z_sc0.sdf -rw-rw-r-- root/root 3072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z50_028.sdf -rw-rw-r-- root/root 4372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z52_h23.sdf -rw-rw-r-- root/root 9639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z5u_faj.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z5y_fad.sdf -rw-rw-r-- root/root 2612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z5y_hrm.sdf -rw-rw-r-- root/root 4406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z60_p3y.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z6a_sah.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z6q_dcz.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z6q_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z6u_sah.sdf -rw-rw-r-- root/root 3853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z71_pnv.sdf -rw-rw-r-- root/root 6230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z78_h86.sdf -rw-rw-r-- root/root 3882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z7g_eh9.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z7h_gg3.sdf -rw-rw-r-- root/root 5596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z7i_742.sdf -rw-rw-r-- root/root 2271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z7k_bgu.sdf -rw-rw-r-- root/root 4305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z7l_s91.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z7q_acp.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z7r_stu.sdf -rw-rw-r-- root/root 4713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z7s_p01.sdf -rw-rw-r-- root/root 4305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z8c_s91.sdf -rw-rw-r-- root/root 1590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z94_tld.sdf -rw-rw-r-- root/root 3461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z9c_dtc.sdf -rw-rw-r-- root/root 518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z9j_dtz.sdf -rw-rw-r-- root/root 1119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z9k_doz.sdf -rw-rw-r-- root/root 684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z9l_daz.sdf -rw-rw-r-- root/root 2201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z9v_pxm.sdf -rw-rw-r-- root/root 6345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z9y_ddr.sdf -rw-rw-r-- root/root 6345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2z9z_ddr.sdf -rw-rw-r-- root/root 3480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2za0_mgi.sdf -rw-rw-r-- root/root 5034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2za5_2ff.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zaf_fad.sdf -rw-rw-r-- root/root 2921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zas_1oh.sdf -rw-rw-r-- root/root 3798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zaz_gk1.sdf -rw-rw-r-- root/root 4427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zb0_gk3.sdf -rw-rw-r-- root/root 4298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zb1_gk4.sdf -rw-rw-r-- root/root 2334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zb4_5op.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zb7_nca.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zb8_imn.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zbh_bvl.sdf -rw-rw-r-- root/root 6572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zbz_vdx.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zcj_sah.sdf -rw-rw-r-- root/root 4026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zcq_b65.sdf -rw-rw-r-- root/root 4972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zcr_b69.sdf -rw-rw-r-- root/root 3932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zcs_b70.sdf -rw-rw-r-- root/root 5132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zdn_49u.sdf -rw-rw-r-- root/root 4788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zdt_46c.sdf -rw-rw-r-- root/root 5507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zdu_446.sdf -rw-rw-r-- root/root 3500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zdx_p4a.sdf -rw-rw-r-- root/root 5128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ze1_411.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ze6_dst.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ze7_dst.sdf -rw-rw-r-- root/root 4849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zeb_11m.sdf -rw-rw-r-- root/root 4551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zec_11n.sdf -rw-rw-r-- root/root 5299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zeu_b71.sdf -rw-rw-r-- root/root 5299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zev_b71.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zev_ipe.sdf -rw-rw-r-- root/root 5569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zfs_12u.sdf -rw-rw-r-- root/root 6676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zfx_yr3.sdf -rw-rw-r-- root/root 3797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zga_ydp.sdf -rw-rw-r-- root/root 2874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zi3_3d1.sdf -rw-rw-r-- root/root 2873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zi4_3l1.sdf -rw-rw-r-- root/root 2873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zi5_3l1.sdf -rw-rw-r-- root/root 2874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zi6_3d1.sdf -rw-rw-r-- root/root 2966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zi7_gng.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zi8_sdt.sdf -rw-rw-r-- root/root 2883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zia_cl9.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zir_fpp.sdf -rw-rw-r-- root/root 6050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zir_nh7.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zis_fpp.sdf -rw-rw-r-- root/root 4950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zis_nh8.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zit_nad.sdf -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ziz_ad3.sdf -rw-rw-r-- root/root 2976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zj0_2fa.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zj1_arj.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zj3_g6p.sdf -rw-rw-r-- root/root 2891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zj4_agp.sdf -rw-rw-r-- root/root 2590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zjf_bsu.sdf -rw-rw-r-- root/root 2545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zju_im4.sdf -rw-rw-r-- root/root 2168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zjv_ct4.sdf -rw-rw-r-- root/root 2682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zjw_ref.sdf -rw-rw-r-- root/root 5433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zk6_c08.sdf -rw-rw-r-- root/root 3641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zkc_bpz.sdf -rw-rw-r-- root/root 7112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zl9_vda.sdf -rw-rw-r-- root/root 7112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zla_vdb.sdf -rw-rw-r-- root/root 6572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zlc_vdx.sdf -rw-rw-r-- root/root 12670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zlg_mrt.sdf -rw-rw-r-- root/root 3358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zm1_ksf.sdf -rw-rw-r-- root/root 4307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zm3_575.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zm4_ksm.sdf -rw-rw-r-- root/root 4045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zmb_pxb.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zmc_7pe.sdf -rw-rw-r-- root/root 2381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zmd_537.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zmd_7pe.sdf -rw-rw-r-- root/root 7765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zmh_nya.sdf -rw-rw-r-- root/root 8025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zmi_tt2.sdf -rw-rw-r-- root/root 8285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zmj_mi4.sdf -rw-rw-r-- root/root 4917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zmm_35b.sdf -rw-rw-r-- root/root 5390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zn7_410.sdf -rw-rw-r-- root/root 7010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2znn_s44.sdf -rw-rw-r-- root/root 7010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zno_s44.sdf -rw-rw-r-- root/root 5433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2znp_k55.sdf -rw-rw-r-- root/root 4653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2znq_401.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zog_bes.sdf -rw-rw-r-- root/root 3062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zoq_5id.sdf -rw-rw-r-- root/root 3326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zox_png.sdf -rw-rw-r-- root/root 6642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zp0_pi0.sdf -rw-rw-r-- root/root 2216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zp1_iyr.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zp3_mrd.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zp4_mrd.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zpt_a3p.sdf -rw-rw-r-- root/root 5830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zq2_13u.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zr2_amp.sdf -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zr4_1pg.sdf -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zr5_1pg.sdf -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zr6_1pg.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zru_fmn.sdf -rw-rw-r-- root/root 4922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zrv_fnr.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zrw_fmn.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zrw_ipr.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zrx_dma.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zrx_fmn.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zs9_adp.sdf -rw-rw-r-- root/root 2880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zs9_pau.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zsa_adp.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zsa_paz.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zsb_adp.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zsd_coa.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zse_acp.sdf -rw-rw-r-- root/root 2880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zse_pau.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zsf_atp.sdf -rw-rw-r-- root/root 4305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zsh_ga3.sdf -rw-rw-r-- root/root 4377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zsi_ga4.sdf -rw-rw-r-- root/root 4352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zt5_b4p.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zt6_apc.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zt7_atp.sdf -rw-rw-r-- root/root 4044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zt8_drv.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zth_sam.sdf -rw-rw-r-- root/root 518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2ztx_dtz.sdf -rw-rw-r-- root/root 3224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zv2_609.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zv8_anp.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zv9_pp2.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zva_1n1.sdf -rw-rw-r-- root/root 2721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zvj_kom.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zvj_sam.sdf -rw-rw-r-- root/root 6513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zwl_567.sdf -rw-rw-r-- root/root 2693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zxc_2ed.sdf -rw-rw-r-- root/root 5048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zxg_s23.sdf -rw-rw-r-- root/root 6842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zxm_jb1.sdf -rw-rw-r-- root/root 6842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zxn_jc1.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zxu_dst.sdf -rw-rw-r-- root/root 4807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zxz_p26.sdf -rw-rw-r-- root/root 4807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zy0_21p.sdf -rw-rw-r-- root/root 4015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zy1_830.sdf -rw-rw-r-- root/root 3866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zyb_ksl.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zyd_glo.sdf -rw-rw-r-- root/root 3994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zyj_pgu.sdf -rw-rw-r-- root/root 4258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zyu_pps.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zz1_bmp.sdf -rw-rw-r-- root/root 3245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zz2_6cn.sdf -rw-rw-r-- root/root 3245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zz5_6cn.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zz7_bmp.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zzg_a5a.sdf -rw-rw-r-- root/root 8035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/2zzu_359.sdf -rw-rw-r-- root/root 1931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a06_fom.sdf -rw-rw-r-- root/root 4181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a0i_aji.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a13_cap.sdf -rw-rw-r-- root/root 2804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a29_2t0.sdf -rw-rw-r-- root/root 4810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a2c_pdy.sdf -rw-rw-r-- root/root 6182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a2h_tej.sdf -rw-rw-r-- root/root 6182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a2i_tej.sdf -rw-rw-r-- root/root 6182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a2j_tej.sdf -rw-rw-r-- root/root 7032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a3z_2mv.sdf -rw-rw-r-- root/root 7032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a40_23r.sdf -rw-rw-r-- root/root 1815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a4g_pg0.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a4o_stu.sdf -rw-rw-r-- root/root 4150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a4p_dfq.sdf -rw-rw-r-- root/root 6385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a50_vd3.sdf -rw-rw-r-- root/root 6479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a51_vdy.sdf -rw-rw-r-- root/root 5255 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a5y_kaa.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a62_stu.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a73_myr.sdf -rw-rw-r-- root/root 4833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a73_pj2.sdf -rw-rw-r-- root/root 4352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a74_b4p.sdf -rw-rw-r-- root/root 2346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a74_lyn.sdf -rw-rw-r-- root/root 6572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a78_3ev.sdf -rw-rw-r-- root/root 5388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a7d_fbn.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a7h_atp.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a7i_ade.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a7j_adp.sdf -rw-rw-r-- root/root 5468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a7r_laq.sdf -rw-rw-r-- root/root 3528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a7y_o13.sdf -rw-rw-r-- root/root 3528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a7z_o14.sdf -rw-rw-r-- root/root 2773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a8b_br6.sdf -rw-rw-r-- root/root 5266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a8i_c2f.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a8w_atp.sdf -rw-rw-r-- root/root 2749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a9c_rub.sdf -rw-rw-r-- root/root 5799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a9e_754.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3a9e_rea.sdf -rw-rw-r-- root/root 4558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aau_gzc.sdf -rw-rw-r-- root/root 4204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aav_a2c.sdf -rw-rw-r-- root/root 9721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3abt_2pf.sdf -rw-rw-r-- root/root 10940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3abu_12f.sdf -rw-rw-r-- root/root 4894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ac1_kzi.sdf -rw-rw-r-- root/root 5164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ac2_kse.sdf -rw-rw-r-- root/root 5448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ac3_ksh.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ac4_kzl.sdf -rw-rw-r-- root/root 6191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ac5_kzm.sdf -rw-rw-r-- root/root 5529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ac8_ksk.sdf -rw-rw-r-- root/root 3582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3acj_kss.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ack_ksr.sdf -rw-rw-r-- root/root 4384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3acl_3f1.sdf -rw-rw-r-- root/root 3843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3acw_651.sdf -rw-rw-r-- root/root 4503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3acx_673.sdf -rw-rw-r-- root/root 5196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3acy_702.sdf -rw-rw-r-- root/root 2895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ad4_kbm.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ad5_5pb.sdf -rw-rw-r-- root/root 4480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ad6_ksc.sdf -rw-rw-r-- root/root 8069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3adz_ps7.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ae0_ggs.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aez_gdp.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aez_paz.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3af0_gdp.sdf -rw-rw-r-- root/root 2880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3af0_pau.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3af1_gdp.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3af2_acp.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3af3_gcp.sdf -rw-rw-r-- root/root 2880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3af3_pau.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3af4_gcp.sdf -rw-rw-r-- root/root 7619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3afr_icj.sdf -rw-rw-r-- root/root 7611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aga_rcc.sdf -rw-rw-r-- root/root 7611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3agc_rcc.sdf -rw-rw-r-- root/root 1925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ai8_hnq.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aiq_hbo.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ajh_bl3.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ajm_4ip.sdf -rw-rw-r-- root/root 1762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3akg_ahr.sdf -rw-rw-r-- root/root 1975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aki_ah8.sdf -rw-rw-r-- root/root 5732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3akn_11d.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aln_anp.sdf -rw-rw-r-- root/root 2845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3am9_fyo.sdf -rw-rw-r-- root/root 528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3am9_mos.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3am9_mte.sdf -rw-rw-r-- root/root 3624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ama_ske.sdf -rw-rw-r-- root/root 5555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3amb_vx6.sdf -rw-rw-r-- root/root 3662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3amr_ihs.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3amt_atp.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3amu_apc.sdf -rw-rw-r-- root/root 2822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3amy_agi.sdf -rw-rw-r-- root/root 528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3amz_mos.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3amz_mte.sdf -rw-rw-r-- root/root 1550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3amz_urc.sdf -rw-rw-r-- root/root 1550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3an1_urc.sdf -rw-rw-r-- root/root 1778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3anl_syc.sdf -rw-rw-r-- root/root 2687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3anm_syd.sdf -rw-rw-r-- root/root 2333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ann_sye.sdf -rw-rw-r-- root/root 2665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3anq_ehb.sdf -rw-rw-r-- root/root 2612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3anr_hrm.sdf -rw-rw-r-- root/root 3145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ans_s38.sdf -rw-rw-r-- root/root 4718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ant_s82.sdf -rw-rw-r-- root/root 2530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ao2_avx.sdf -rw-rw-r-- root/root 2623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ao3_bmc.sdf -rw-rw-r-- root/root 2518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ao4_833.sdf -rw-rw-r-- root/root 2532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ao5_bby.sdf -rw-rw-r-- root/root 10449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aoc_ery.sdf -rw-rw-r-- root/root 10477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aod_rfp.sdf -rw-rw-r-- root/root 6348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aox_emh.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3apc_mmd.sdf -rw-rw-r-- root/root 4419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3apd_mmy.sdf -rw-rw-r-- root/root 4884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3apf_bmw.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3apu_pg4.sdf -rw-rw-r-- root/root 3988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3apv_tp0.sdf -rw-rw-r-- root/root 4843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3apw_dp0.sdf -rw-rw-r-- root/root 3651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3apx_z80.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aq0_isy.sdf -rw-rw-r-- root/root 1249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aq0_ppv.sdf -rw-rw-r-- root/root 3615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aqa_byh.sdf -rw-rw-r-- root/root 4382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aqc_2de.sdf -rw-rw-r-- root/root 5016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aqv_tak.sdf -rw-rw-r-- root/root 11403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ar7_pty.sdf -rw-rw-r-- root/root 8569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ar7_tg1.sdf -rw-rw-r-- root/root 8569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ar9_tg1.sdf -rw-rw-r-- root/root 5459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ara_mkh.sdf -rw-rw-r-- root/root 4443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3arn_msj.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3asj_xym.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3asj_xyn.sdf -rw-rw-r-- root/root 3044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ask_m3l.sdf -rw-rw-r-- root/root 6394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3asx_d99.sdf -rw-rw-r-- root/root 4782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3at3_atk.sdf -rw-rw-r-- root/root 4411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3at4_cck.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3atu_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3atv_adp.sdf -rw-rw-r-- root/root 1931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3au9_fom.sdf -rw-rw-r-- root/root 2190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aua_f98.sdf -rw-rw-r-- root/root 6936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aun_yr4.sdf -rw-rw-r-- root/root 6407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aur_ca9.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3av6_sam.sdf -rw-rw-r-- root/root 2880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3avo_pau.sdf -rw-rw-r-- root/root 2949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3avp_mv2.sdf -rw-rw-r-- root/root 5304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3avq_mv1.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ax4_xmm.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ax7_sal.sdf -rw-rw-r-- root/root 3820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ax7_xax.sdf -rw-rw-r-- root/root 6927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ax8_eim.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3axm_6pg.sdf -rw-rw-r-- root/root 2084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3axw_tid.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3axz_adn.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ay9_adp.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3aye_lat.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ayi_hci.sdf -rw-rw-r-- root/root 6251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3az1_ds2.sdf -rw-rw-r-- root/root 7031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3az2_ds3.sdf -rw-rw-r-- root/root 7288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3az3_ds6.sdf -rw-rw-r-- root/root 7328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b03_vnr.sdf -rw-rw-r-- root/root 7420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b04_oop.sdf -rw-rw-r-- root/root 4922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b05_fnr.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b05_ipe.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b06_dma.sdf -rw-rw-r-- root/root 4922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b06_fnr.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b0q_mc5.sdf -rw-rw-r-- root/root 6405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b0t_mcz.sdf -rw-rw-r-- root/root 7271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b0w_dgx.sdf -rw-rw-r-- root/root 5940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b1m_krc.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b29_gsh.sdf -rw-rw-r-- root/root 2055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b29_lsm.sdf -rw-rw-r-- root/root 5969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b2r_vdn.sdf -rw-rw-r-- root/root 4050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b2t_m33.sdf -rw-rw-r-- root/root 6752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b2w_9nh.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b2x_mli.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b34_mli.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b3b_mli.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b3c_plu.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b3o_h4b.sdf -rw-rw-r-- root/root 4868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b3o_ji3.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b3p_h4b.sdf -rw-rw-r-- root/root 4868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b3p_ji7.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b3x_a33.sdf -rw-rw-r-- root/root 3272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b5b_ndn.sdf -rw-rw-r-- root/root 3796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b5r_b5r.sdf -rw-rw-r-- root/root 3599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b65_3b6.sdf -rw-rw-r-- root/root 4164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b66_b66.sdf -rw-rw-r-- root/root 3947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b67_b67.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b68_b68.sdf -rw-rw-r-- root/root 2780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b6h_mxd.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b75_glc.sdf -rw-rw-r-- root/root 1872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b7d_cni.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b7e_zmr.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b7i_plu.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b7j_ben.sdf -rw-rw-r-- root/root 1819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b7j_jug.sdf -rw-rw-r-- root/root 2954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b7l_m0n.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b7o_mlt.sdf -rw-rw-r-- root/root 5058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b7r_bir.sdf -rw-rw-r-- root/root 3552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b7u_kel.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b82_nad.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b86_pg4.sdf -rw-rw-r-- root/root 5236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b87_pe8.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b88_ete.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b8h_nad.sdf -rw-rw-r-- root/root 5166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b8q_900.sdf -rw-rw-r-- root/root 4872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b8r_887.sdf -rw-rw-r-- root/root 8093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b8x_g4m.sdf -rw-rw-r-- root/root 4417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b8z_294.sdf -rw-rw-r-- root/root 3088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b92_440.sdf -rw-rw-r-- root/root 5011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b99_u51.sdf -rw-rw-r-- root/root 1622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b9j_290.sdf -rw-rw-r-- root/root 528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b9j_mos.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b9j_mte.sdf -rw-rw-r-- root/root 2983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b9l_azz.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b9l_myr.sdf -rw-rw-r-- root/root 2983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b9m_azz.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b9m_myr.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b9m_sal.sdf -rw-rw-r-- root/root 2884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3b9x_nos.sdf -rw-rw-r-- root/root 2647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ba8_3b8.sdf -rw-rw-r-- root/root 5108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ba9_3b9.sdf -rw-rw-r-- root/root 4364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3baa_3ba.sdf -rw-rw-r-- root/root 5001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bab_3bd.sdf -rw-rw-r-- root/root 5108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bac_3b9.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3baf_anp.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3baf_skm.sdf -rw-rw-r-- root/root 6046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bbt_fmm.sdf -rw-rw-r-- root/root 10334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bc3_opt.sdf -rw-rw-r-- root/root 5763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bc5_zaa.sdf -rw-rw-r-- root/root 1455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bdj_141.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bdj_mte.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bdk_dno.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bdz_mli.sdf -rw-rw-r-- root/root 6177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3be2_raj.sdf -rw-rw-r-- root/root 4419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3be9_p04.sdf -rw-rw-r-- root/root 6278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bea_ixh.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3beg_anp.sdf -rw-rw-r-- root/root 5699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bej_muf.sdf -rw-rw-r-- root/root 4938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bel_pox.sdf -rw-rw-r-- root/root 5680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ben_leh.sdf -rw-rw-r-- root/root 5065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bet_ctf.sdf -rw-rw-r-- root/root 2880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bex_pau.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bf3_paz.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bfi_ndu.sdf -rw-rw-r-- root/root 6303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bg8_inh.sdf -rw-rw-r-- root/root 6618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bgb_ljg.sdf -rw-rw-r-- root/root 6876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bgc_ljh.sdf -rw-rw-r-- root/root 1361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bgd_pm6.sdf -rw-rw-r-- root/root 7030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bgl_rid.sdf -rw-rw-r-- root/root 3192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bgp_vx1.sdf -rw-rw-r-- root/root 4046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bgq_vx2.sdf -rw-rw-r-- root/root 5112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bgx_mef.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bgx_tmp.sdf -rw-rw-r-- root/root 3619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bgz_vx3.sdf -rw-rw-r-- root/root 5486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bhe_bzn.sdf -rw-rw-r-- root/root 4317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bhh_5cp.sdf -rw-rw-r-- root/root 3490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bhj_ab3.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bhj_gsh.sdf -rw-rw-r-- root/root 3490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bhm_ab3.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bhm_ahe.sdf -rw-rw-r-- root/root 2991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bhx_bhx.sdf -rw-rw-r-- root/root 3425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bi0_bix.sdf -rw-rw-r-- root/root 6693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bi1_3bi.sdf -rw-rw-r-- root/root 3705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bi2_297.sdf -rw-rw-r-- root/root 3041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bi4_298.sdf -rw-rw-r-- root/root 2663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bi5_dia.sdf -rw-rw-r-- root/root 5687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bi6_396.sdf -rw-rw-r-- root/root 4396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bib_psf.sdf -rw-rw-r-- root/root 10506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3biy_01k.sdf -rw-rw-r-- root/root 5310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3biz_61e.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bj7_coa.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bj8_coa.sdf -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bj8_spm.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bjc_wan.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bju_atp.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bk0_cnu.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bki_fqx.sdf -rw-rw-r-- root/root 5976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bkk_kaf.sdf -rw-rw-r-- root/root 6355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bkl_kaw.sdf -rw-rw-r-- root/root 3697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bl1_bl1.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bl6_fmc.sdf -rw-rw-r-- root/root 4743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bl7_dd1.sdf -rw-rw-r-- root/root 4753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bl9_dd2.sdf -rw-rw-r-- root/root 3414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bla_dd3.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3blb_mrd.sdf -rw-rw-r-- root/root 2463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3blb_swa.sdf -rw-rw-r-- root/root 3379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bll_bpq.sdf -rw-rw-r-- root/root 3220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3blo_qei.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3blq_atp.sdf -rw-rw-r-- root/root 4402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3blr_cpb.sdf -rw-rw-r-- root/root 4304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bmy_cxz.sdf -rw-rw-r-- root/root 4067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bnm_spj.sdf -rw-rw-r-- root/root 85 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bnu_spz.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bnx_fpp.sdf -rw-rw-r-- root/root 4650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bny_fpf.sdf -rw-rw-r-- root/root 2817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bnz_c16.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bp1_gun.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bpr_olp.sdf -rw-rw-r-- root/root 2810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bqc_emo.sdf -rw-rw-r-- root/root 6508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bqd_day.sdf -rw-rw-r-- root/root 2701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bqf_ssm.sdf -rw-rw-r-- root/root 4591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bqm_bqm.sdf -rw-rw-r-- root/root 5593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bqn_bqn.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bqr_4rb.sdf -rw-rw-r-- root/root 4544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bqz_mgr.sdf -rw-rw-r-- root/root 4544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3br0_mgr.sdf -rw-rw-r-- root/root 6654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3br1_deq.sdf -rw-rw-r-- root/root 6654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3br2_deq.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3br3_et.sdf -rw-rw-r-- root/root 5805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3br5_rhq.sdf -rw-rw-r-- root/root 5805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3br6_rhq.sdf -rw-rw-r-- root/root 5575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3br9_dey.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3brb_adp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3brw_gdp.sdf -rw-rw-r-- root/root 5232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bsa_1pd.sdf -rw-rw-r-- root/root 5210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bsc_2pd.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bsy_aco.sdf -rw-rw-r-- root/root 6654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bt9_deq.sdf -rw-rw-r-- root/root 4544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3btc_mgr.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bti_ber.sdf -rw-rw-r-- root/root 6654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3btj_deq.sdf -rw-rw-r-- root/root 4544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3btl_mgr.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bto_nad.sdf -rw-rw-r-- root/root 2345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bto_ssb.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bu5_atp.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bur_tes.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bv4_13p.sdf -rw-rw-r-- root/root 3536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bvj_xmp.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bvt_mrd.sdf -rw-rw-r-- root/root 4348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bvt_wz1.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bvu_mrd.sdf -rw-rw-r-- root/root 6225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bvu_wz2.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bvv_mrd.sdf -rw-rw-r-- root/root 6225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bvv_wz3.sdf -rw-rw-r-- root/root 10510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bvw_wz4.sdf -rw-rw-r-- root/root 10510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bvx_wz5.sdf -rw-rw-r-- root/root 1762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bwm_dnc.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bxd_ins.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bxe_13p.sdf -rw-rw-r-- root/root 3115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bxf_fbp.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bxg_bg6.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bxh_f6p.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bxx_que.sdf -rw-rw-r-- root/root 1612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3by0_dbh.sdf -rw-rw-r-- root/root 2590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3by0_dbs.sdf -rw-rw-r-- root/root 5316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bym_am0.sdf -rw-rw-r-- root/root 6394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3byo_am9.sdf -rw-rw-r-- root/root 6647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bys_am5.sdf -rw-rw-r-- root/root 6907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3byu_am6.sdf -rw-rw-r-- root/root 3715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3byx_c00.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3byx_ump.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3byz_h11.sdf -rw-rw-r-- root/root 5064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bz3_yam.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bz7_bl4.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bz8_bl6.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bz9_bl7.sdf -rw-rw-r-- root/root 3054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3bzu_a21.sdf -rw-rw-r-- root/root 2641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c06_14c.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c06_ump.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c0g_3am.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c0h_amp.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c0z_shh.sdf -rw-rw-r-- root/root 3966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c10_tsn.sdf -rw-rw-r-- root/root 7159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c11_gdm.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c16_atp.sdf -rw-rw-r-- root/root 6495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c1k_t15.sdf -rw-rw-r-- root/root 6037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c1x_ckk.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c2l_f2a.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c2m_f2a.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c2o_ntm.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c2v_pht.sdf -rw-rw-r-- root/root 2354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c2y_s60.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c3a_adp.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c3b_cdp.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c3c_cdp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c3e_gdp.sdf -rw-rw-r-- root/root 1538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c3u_c2u.sdf -rw-rw-r-- root/root 5354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c43_315.sdf -rw-rw-r-- root/root 5013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c45_317.sdf -rw-rw-r-- root/root 4500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c49_ku8.sdf -rw-rw-r-- root/root 2520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c4e_c4e.sdf -rw-rw-r-- root/root 2955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c4f_c4f.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c4h_drl.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c4v_udp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c4w_atp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c4x_atp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c4z_adp.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c52_pgh.sdf -rw-rw-r-- root/root 2832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c56_ph4.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c5e_atp.sdf -rw-rw-r-- root/root 86 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c5e_unl.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c5g_d3t.sdf -rw-rw-r-- root/root 6385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c6g_vd3.sdf -rw-rw-r-- root/root 5128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c6n_2s8.sdf -rw-rw-r-- root/root 2848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c6p_2s3.sdf -rw-rw-r-- root/root 4358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c6t_m14.sdf -rw-rw-r-- root/root 3820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c6u_m22.sdf -rw-rw-r-- root/root 7251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c72_cx1.sdf -rw-rw-r-- root/root 6126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c7i_tvn.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c7k_gdp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c7n_adp.sdf -rw-rw-r-- root/root 5463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c7p_pof.sdf -rw-rw-r-- root/root 6629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c7q_xin.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c9r_atp.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c9s_acp.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c9t_acp.sdf -rw-rw-r-- root/root 3668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c9t_tps.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c9u_adp.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3c9u_tpp.sdf -rw-rw-r-- root/root 1304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cak_efs.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cas_asd.sdf -rw-rw-r-- root/root 4935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cav_ci2.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cb5_b3p.sdf -rw-rw-r-- root/root 2590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cbc_dbs.sdf -rw-rw-r-- root/root 5033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cbd_140.sdf -rw-rw-r-- root/root 4265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cbf_n5f.sdf -rw-rw-r-- root/root 4032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cbi_ajm.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cbi_ann.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cbl_stu.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cbm_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cbo_sah.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cbp_sfg.sdf -rw-rw-r-- root/root 3968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cbs_r12.sdf -rw-rw-r-- root/root 2485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ccb_b2y.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ccc_7ac.sdf -rw-rw-r-- root/root 3433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ccn_lkg.sdf -rw-rw-r-- root/root 6959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cct_3hi.sdf -rw-rw-r-- root/root 6133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ccw_4hi.sdf -rw-rw-r-- root/root 6488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ccz_5hi.sdf -rw-rw-r-- root/root 6142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cd0_6hi.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cd2_mtx.sdf -rw-rw-r-- root/root 6833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cd5_7hi.sdf -rw-rw-r-- root/root 4257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cd8_l5g.sdf -rw-rw-r-- root/root 7314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cda_8hi.sdf -rw-rw-r-- root/root 7331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cdb_9hi.sdf -rw-rw-r-- root/root 5315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cde_n3h.sdf -rw-rw-r-- root/root 3585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ce0_p34.sdf -rw-rw-r-- root/root 4654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ce3_1fn.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ce6_adn.sdf -rw-rw-r-- root/root 3483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ceh_ave.sdf -rw-rw-r-- root/root 4429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cej_avf.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cem_avd.sdf -rw-rw-r-- root/root 4628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cen_fxa.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cf0_adp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cf2_anp.sdf -rw-rw-r-- root/root 3177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cf6_sp1.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cf8_ben.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cf8_que.sdf -rw-rw-r-- root/root 2822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cf9_agi.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cf9_ben.sdf -rw-rw-r-- root/root 3605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cfl_5ch.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cgf_jnf.sdf -rw-rw-r-- root/root 4572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cgo_jno.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cgy_rdc.sdf -rw-rw-r-- root/root 4268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ch6_311.sdf -rw-rw-r-- root/root 1750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ch9_xrg.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3chc_zrg.sdf -rw-rw-r-- root/root 5478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3chd_wrg.sdf -rw-rw-r-- root/root 3204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cho_4bg.sdf -rw-rw-r-- root/root 3746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3chp_4bo.sdf -rw-rw-r-- root/root 4006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3chq_4bq.sdf -rw-rw-r-- root/root 3725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3chr_4bs.sdf -rw-rw-r-- root/root 4360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3chs_4bu.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ci8_nio.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ciw_sah.sdf -rw-rw-r-- root/root 2229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cj0_sx2.sdf -rw-rw-r-- root/root 3356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cj2_sx3.sdf -rw-rw-r-- root/root 3756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cj3_sx4.sdf -rw-rw-r-- root/root 4343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cj4_sx5.sdf -rw-rw-r-- root/root 5406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cj5_sx6.sdf -rw-rw-r-- root/root 4754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cjf_sav.sdf -rw-rw-r-- root/root 5014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cjg_kim.sdf -rw-rw-r-- root/root 5532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cjo_k30.sdf -rw-rw-r-- root/root 2245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cjt_2mm.sdf -rw-rw-r-- root/root 4661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cke_fdf.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ckl_a3p.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ckx_stu.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ckz_zmr.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cl2_g39.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cl9_nap.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cla_clm.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3clb_nap.sdf -rw-rw-r-- root/root 4651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3clb_tmq.sdf -rw-rw-r-- root/root 6002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cld_gw6.sdf -rw-rw-r-- root/root 6489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3clx_x22.sdf -rw-rw-r-- root/root 6572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cm2_x23.sdf -rw-rw-r-- root/root 6489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cm7_x22.sdf -rw-rw-r-- root/root 4714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cmf_pdn.sdf -rw-rw-r-- root/root 1612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cmp_dbh.sdf -rw-rw-r-- root/root 6857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cmp_eb4.sdf -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cn8_spd.sdf -rw-rw-r-- root/root 85 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cnd_sp5.sdf -rw-rw-r-- root/root 3298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cnp_sp7.sdf -rw-rw-r-- root/root 3947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cns_sp8.sdf -rw-rw-r-- root/root 3947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cnt_sp9.sdf -rw-rw-r-- root/root 5127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3co9_3ms.sdf -rw-rw-r-- root/root 4562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3coh_83h.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cok_anp.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cot_str.sdf -rw-rw-r-- root/root 5008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cow_52h.sdf -rw-rw-r-- root/root 5079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3coy_53h.sdf -rw-rw-r-- root/root 4823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3coz_54h.sdf -rw-rw-r-- root/root 3091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cp6_rsx.sdf -rw-rw-r-- root/root 4859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cp9_c19.sdf -rw-rw-r-- root/root 4797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cpb_c92.sdf -rw-rw-r-- root/root 4077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cpc_c52.sdf -rw-rw-r-- root/root 1243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cpo_fp2.sdf -rw-rw-r-- root/root 4078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cqe_p91.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cqp_mli.sdf -rw-rw-r-- root/root 3263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cqu_cqu.sdf -rw-rw-r-- root/root 2818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cqw_cqw.sdf -rw-rw-r-- root/root 3706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cr0_809.sdf -rw-rw-r-- root/root 4428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cr5_pnt.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3crb_cou.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cru_gsh.sdf -rw-rw-r-- root/root 6772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cs4_cov.sdf -rw-rw-r-- root/root 6772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cs6_0co.sdf -rw-rw-r-- root/root 5622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cs9_nil.sdf -rw-rw-r-- root/root 6555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3csh_lz6.sdf -rw-rw-r-- root/root 6555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3csi_lz6.sdf -rw-rw-r-- root/root 3442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3csj_cbl.sdf -rw-rw-r-- root/root 2585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3csm_tsa.sdf -rw-rw-r-- root/root 5921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cso_xni.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cth_319.sdf -rw-rw-r-- root/root 4359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ctj_320.sdf -rw-rw-r-- root/root 2809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ctl_s6p.sdf -rw-rw-r-- root/root 2555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ctt_3cu.sdf -rw-rw-r-- root/root 7079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cu1_scr.sdf -rw-rw-r-- root/root 3982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cuf_9mr.sdf -rw-rw-r-- root/root 7736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cug_g3i.sdf -rw-rw-r-- root/root 5859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cuh_g2i.sdf -rw-rw-r-- root/root 6425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cui_x4s.sdf -rw-rw-r-- root/root 7948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cuj_x5s.sdf -rw-rw-r-- root/root 1539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cuk_4p5.sdf -rw-rw-r-- root/root 3737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cuw_445.sdf -rw-rw-r-- root/root 9719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cv5_m5s.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cv6_hxs.sdf -rw-rw-r-- root/root 1538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cv7_c2u.sdf -rw-rw-r-- root/root 6572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cv9_vdx.sdf -rw-rw-r-- root/root 5719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cvk_n34.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cwa_8og.sdf -rw-rw-r-- root/root 4823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cwd_lna.sdf -rw-rw-r-- root/root 4420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cwe_825.sdf -rw-rw-r-- root/root 5399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cwj_321.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cwk_rea.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cx6_gdp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cx7_gdp.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cx8_gsp.sdf -rw-rw-r-- root/root 6528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cx9_lpx.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cx9_myr.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cxi_pe4.sdf -rw-rw-r-- root/root 7152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cxi_vit.sdf -rw-rw-r-- root/root 2353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cxo_1n5.sdf -rw-rw-r-- root/root 2094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cxo_3lr.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cxw_7cp.sdf -rw-rw-r-- root/root 3699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cy2_mb9.sdf -rw-rw-r-- root/root 3985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cy3_jn5.sdf -rw-rw-r-- root/root 7152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3cyl_vit.sdf -rw-rw-r-- root/root 6490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3czh_d2v.sdf -rw-rw-r-- root/root 14535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3czn_m5g.sdf -rw-rw-r-- root/root 5088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3czr_3cz.sdf -rw-rw-r-- root/root 5617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3czr_cps.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3czv_azm.sdf -rw-rw-r-- root/root 3470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3czy_ad8.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d04_sak.sdf -rw-rw-r-- root/root 4657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d0b_snx.sdf -rw-rw-r-- root/root 5259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d0e_g93.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d10_pge.sdf -rw-rw-r-- root/root 4273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d14_ak1.sdf -rw-rw-r-- root/root 3992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d15_ak2.sdf -rw-rw-r-- root/root 3417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d1g_322.sdf -rw-rw-r-- root/root 1713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d1v_d1v.sdf -rw-rw-r-- root/root 2501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d27_w29.sdf -rw-rw-r-- root/root 4408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d28_b34.sdf -rw-rw-r-- root/root 4533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d2i_ak3.sdf -rw-rw-r-- root/root 4534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d2k_ak4.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d2r_adp.sdf -rw-rw-r-- root/root 5271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d3e_d3e.sdf -rw-rw-r-- root/root 4822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d3p_20a.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d47_mlt.sdf -rw-rw-r-- root/root 7005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d4b_dzd.sdf -rw-rw-r-- root/root 4045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d4l_605.sdf -rw-rw-r-- root/root 5076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d4n_d4n.sdf -rw-rw-r-- root/root 4668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d4q_sm5.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d4s_clr.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d4s_tim.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d4y_mrd.sdf -rw-rw-r-- root/root 2399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d4y_mvl.sdf -rw-rw-r-- root/root 2500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d4z_gim.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d4z_mrd.sdf -rw-rw-r-- root/root 4360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d50_oev.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d51_gox.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d51_mrd.sdf -rw-rw-r-- root/root 3574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d52_ghr.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d52_mrd.sdf -rw-rw-r-- root/root 2804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d57_4hy.sdf -rw-rw-r-- root/root 4974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d5f_l41.sdf -rw-rw-r-- root/root 5670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d5m_4ms.sdf -rw-rw-r-- root/root 4419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d5q_t30.sdf -rw-rw-r-- root/root 2553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d67_gem.sdf -rw-rw-r-- root/root 3915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d6o_u1s.sdf -rw-rw-r-- root/root 3749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d6p_u2s.sdf -rw-rw-r-- root/root 3915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d6q_u3s.sdf -rw-rw-r-- root/root 2867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d6u_t11.sdf -rw-rw-r-- root/root 2671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d6v_tfq.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d6y_ber.sdf -rw-rw-r-- root/root 5805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d6z_rhq.sdf -rw-rw-r-- root/root 3655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d7b_u4s.sdf -rw-rw-r-- root/root 4190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d7d_fbd.sdf -rw-rw-r-- root/root 3930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d7f_yby.sdf -rw-rw-r-- root/root 3270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d7g_mud.sdf -rw-rw-r-- root/root 4981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d7h_yc2.sdf -rw-rw-r-- root/root 6106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d7k_d7k.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d7t_stu.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d7w_zea.sdf -rw-rw-r-- root/root 4552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d7z_gk5.sdf -rw-rw-r-- root/root 4435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d80_q22.sdf -rw-rw-r-- root/root 4081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d8y_t3s.sdf -rw-rw-r-- root/root 3821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d8z_txs.sdf -rw-rw-r-- root/root 4601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d90_nog.sdf -rw-rw-r-- root/root 8402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d91_rem.sdf -rw-rw-r-- root/root 6197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d94_d94.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d97_b3p.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d9d_fad.sdf -rw-rw-r-- root/root 2015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d9d_n6c.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d9e_fad.sdf -rw-rw-r-- root/root 2533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d9e_n8c.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d9f_fad.sdf -rw-rw-r-- root/root 2015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d9f_n6c.sdf -rw-rw-r-- root/root 3910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3d9v_h52.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3da2_4md.sdf -rw-rw-r-- root/root 5433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3da6_bz9.sdf -rw-rw-r-- root/root 3455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3daa_pdd.sdf -rw-rw-r-- root/root 5502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3daf_feg.sdf -rw-rw-r-- root/root 5422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3daj_fxg.sdf -rw-rw-r-- root/root 2218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dap_da3.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3day_apc.sdf -rw-rw-r-- root/root 6389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dbk_rdf.sdf -rw-rw-r-- root/root 4703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dbm_ho2.sdf -rw-rw-r-- root/root 2281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dbn_cs2.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dbp_nup.sdf -rw-rw-r-- root/root 5662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dbs_gd9.sdf -rw-rw-r-- root/root 5267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dcj_thh.sdf -rw-rw-r-- root/root 5327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dct_064.sdf -rw-rw-r-- root/root 5516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dcu_o62.sdf -rw-rw-r-- root/root 3239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dcv_55e.sdf -rw-rw-r-- root/root 6499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dd1_25d.sdf -rw-rw-r-- root/root 4111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dd8_2c7.sdf -rw-rw-r-- root/root 3367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ddf_gb6.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ddf_mrd.sdf -rw-rw-r-- root/root 3626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ddg_gb7.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ddg_mrd.sdf -rw-rw-r-- root/root 1514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ddn_hpv.sdf -rw-rw-r-- root/root 6479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dds_26b.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ddu_552.sdf -rw-rw-r-- root/root 5232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ddw_055.sdf -rw-rw-r-- root/root 2488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dea_hzh.sdf -rw-rw-r-- root/root 1736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3deh_rxa.sdf -rw-rw-r-- root/root 3812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dei_rxb.sdf -rw-rw-r-- root/root 3824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dej_rxc.sdf -rw-rw-r-- root/root 4520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dek_rxd.sdf -rw-rw-r-- root/root 4468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3df9_df9.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dfc_anp.sdf -rw-rw-r-- root/root 2920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dg8_rj6.sdf -rw-rw-r-- root/root 2517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dga_rj1.sdf -rw-rw-r-- root/root 2855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dgq_eaa.sdf -rw-rw-r-- root/root 4050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dgr_a12.sdf -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dh8_b4n.sdf -rw-rw-r-- root/root 3046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dha_c6l.sdf -rw-rw-r-- root/root 3045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dhc_cyk.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dhe_and.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dhf_nmn.sdf -rw-rw-r-- root/root 3555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dho_b2m.sdf -rw-rw-r-- root/root 3484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dhy_3dh.sdf -rw-rw-r-- root/root 3262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3di6_pdz.sdf -rw-rw-r-- root/root 4676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dj5_ak5.sdf -rw-rw-r-- root/root 5208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dj6_ak6.sdf -rw-rw-r-- root/root 4167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dj7_ak7.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dj8_exy.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3djj_ndp.sdf -rw-rw-r-- root/root 6830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3djk_g55.sdf -rw-rw-r-- root/root 7197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dk1_g05.sdf -rw-rw-r-- root/root 4565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dk3_sx7.sdf -rw-rw-r-- root/root 4565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dk6_sx7.sdf -rw-rw-r-- root/root 4565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dk7_sx7.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dkc_atp.sdf -rw-rw-r-- root/root 3642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dkf_sx8.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dkj_prp.sdf -rw-rw-r-- root/root 1514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dkj_unu.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dkl_prp.sdf -rw-rw-r-- root/root 1514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dkl_unu.sdf -rw-rw-r-- root/root 4344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dko_ihz.sdf -rw-rw-r-- root/root 6584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dl9_v2h.sdf -rw-rw-r-- root/root 3871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dle_gfa.sdf -rw-rw-r-- root/root 5052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dlg_gwe.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dls_adp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dlz_amp.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dmt_nad.sdf -rw-rw-r-- root/root 2815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dn5_53n.sdf -rw-rw-r-- root/root 2142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dnd_ll2.sdf -rw-rw-r-- root/root 2263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dne_ll1.sdf -rw-rw-r-- root/root 4976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dng_axa.sdf -rw-rw-r-- root/root 4702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dog_nnn.sdf -rw-rw-r-- root/root 4699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dok_gwj.sdf -rw-rw-r-- root/root 5406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dol_gwi.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3doo_skm.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dop_bdt.sdf -rw-rw-r-- root/root 2918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3doy_2be.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3doy_ben.sdf -rw-rw-r-- root/root 2917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3doz_3be.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3doz_ben.sdf -rw-rw-r-- root/root 3460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dp0_2bc.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dp0_ben.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dp1_2rb.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dp1_ben.sdf -rw-rw-r-- root/root 2917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dp2_4be.sdf -rw-rw-r-- root/root 3945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dp3_4bb.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dp3_ben.sdf -rw-rw-r-- root/root 2112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dp8_hct.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dp9_big.sdf -rw-rw-r-- root/root 3299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dpd_41a.sdf -rw-rw-r-- root/root 5365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dpf_axb.sdf -rw-rw-r-- root/root 6344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dpk_8c5.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dpr_dao.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dpy_fpp.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dqs_h4b.sdf -rw-rw-r-- root/root 4868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dqs_ji3.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dqt_h4b.sdf -rw-rw-r-- root/root 4868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dqt_ji7.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dqw_ags.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dqx_amp.sdf -rw-rw-r-- root/root 5845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dr1_c5d.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dra_grg.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3drp_r8e.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3drr_r8e.sdf -rw-rw-r-- root/root 3746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3drs_r8d.sdf -rw-rw-r-- root/root 4858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ds6_a17.sdf -rw-rw-r-- root/root 4537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dsi_t24.sdf -rw-rw-r-- root/root 84 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dsj_243.sdf -rw-rw-r-- root/root 4704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dsk_t25.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dst_grg.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dsu_fpp.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dsx_ger.sdf -rw-rw-r-- root/root 8416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dsz_liz.sdf -rw-rw-r-- root/root 5544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dt1_p40.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dt3_369.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dt4_gtp.sdf -rw-rw-r-- root/root 657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dt4_oxl.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dt7_gtp.sdf -rw-rw-r-- root/root 1338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dt7_spv.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dtb_gdp.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dtb_pga.sdf -rw-rw-r-- root/root 5138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dtc_vin.sdf -rw-rw-r-- root/root 6672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dtu_dmu.sdf -rw-rw-r-- root/root 3610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dtu_trd.sdf -rw-rw-r-- root/root 3853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dtw_a96.sdf -rw-rw-r-- root/root 2693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3du4_kap.sdf -rw-rw-r-- root/root 3145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3du8_553.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dv3_atp.sdf -rw-rw-r-- root/root 4300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dv3_mek.sdf -rw-rw-r-- root/root 1810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dws_fic.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dx1_mrd.sdf -rw-rw-r-- root/root 1837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dx1_yho.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dx2_mrd.sdf -rw-rw-r-- root/root 2282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dx2_mzb.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dx3_mrd.sdf -rw-rw-r-- root/root 1930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dx3_ytb.sdf -rw-rw-r-- root/root 2189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dx4_goo.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dx4_mrd.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dxh_udp.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dxu_oga.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dy6_dy6.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dy7_1cx.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dy7_atp.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dy8_5gp.sdf -rw-rw-r-- root/root 3580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dya_pzl.sdf -rw-rw-r-- root/root 2127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dye_lnr.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dyn_ibm.sdf -rw-rw-r-- root/root 3271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dyn_pcg.sdf -rw-rw-r-- root/root 3271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dyq_pcg.sdf -rw-rw-r-- root/root 4523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dz2_a8m.sdf -rw-rw-r-- root/root 4450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dz4_c8m.sdf -rw-rw-r-- root/root 4971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dz6_m8e.sdf -rw-rw-r-- root/root 4191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dz7_o8m.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dzh_gtp.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dzi_gtp.sdf -rw-rw-r-- root/root 2217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dzi_n.sdf -rw-rw-r-- root/root 6414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dzi_rgt.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dzj_nmn.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dzk_nmn.sdf -rw-rw-r-- root/root 4816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dzq_ifc.sdf -rw-rw-r-- root/root 4879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dzt_eah.sdf -rw-rw-r-- root/root 3554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3dzu_plb.sdf -rw-rw-r-- root/root 3817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e01_pz2.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e0i_pep.sdf -rw-rw-r-- root/root 9632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e0p_b3c.sdf -rw-rw-r-- root/root 3181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e12_kd0.sdf -rw-rw-r-- root/root 8692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e16_b4c.sdf -rw-rw-r-- root/root 6532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e27_dnd.sdf -rw-rw-r-- root/root 6454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e2m_e2m.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e2t_pge.sdf -rw-rw-r-- root/root 7394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e30_ed4.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e30_fpp.sdf -rw-rw-r-- root/root 5657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e32_ed2.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e32_fpp.sdf -rw-rw-r-- root/root 5917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e33_ed7.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e33_fpp.sdf -rw-rw-r-- root/root 9105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e34_ed1.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e34_fpp.sdf -rw-rw-r-- root/root 7651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e37_ed5.sdf -rw-rw-r-- root/root 4411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e3b_cck.sdf -rw-rw-r-- root/root 6588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e4a_qix.sdf -rw-rw-r-- root/root 1143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e4e_4pz.sdf -rw-rw-r-- root/root 5730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e51_n35.sdf -rw-rw-r-- root/root 1619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e62_5b1.sdf -rw-rw-r-- root/root 2515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e63_5b2.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e64_5b3.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e65_h4b.sdf -rw-rw-r-- root/root 4475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e65_xxz.sdf -rw-rw-r-- root/root 1494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e67_bvf.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e67_h4b.sdf -rw-rw-r-- root/root 3393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e68_at6.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e68_h4b.sdf -rw-rw-r-- root/root 1434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e6i_lz1.sdf -rw-rw-r-- root/root 2541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e6k_abh.sdf -rw-rw-r-- root/root 3370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e6l_a11.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e6l_h4b.sdf -rw-rw-r-- root/root 2273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e6n_as3.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e6n_h4b.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e6o_a55.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e6o_h4b.sdf -rw-rw-r-- root/root 4761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e6t_1a2.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e6t_h4b.sdf -rw-rw-r-- root/root 2541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e6v_abh.sdf -rw-rw-r-- root/root 8791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e6y_cw1.sdf -rw-rw-r-- root/root 10895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e7b_e7b.sdf -rw-rw-r-- root/root 5310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e7c_866.sdf -rw-rw-r-- root/root 3619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e7g_at2.sdf -rw-rw-r-- root/root 2530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e7i_b2.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e7i_h4b.sdf -rw-rw-r-- root/root 3619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e7m_at2.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e7m_h4b.sdf -rw-rw-r-- root/root 3921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e7o_35f.sdf -rw-rw-r-- root/root 3619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e7s_at2.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e7t_b14.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e7t_hbi.sdf -rw-rw-r-- root/root 3527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e7v_dzo.sdf -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e80_hs2.sdf -rw-rw-r-- root/root 4046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e87_g95.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e88_g96.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e8c_g96.sdf -rw-rw-r-- root/root 5707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e8d_g98.sdf -rw-rw-r-- root/root 5707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e8e_g98.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e8n_atp.sdf -rw-rw-r-- root/root 4678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e8n_vra.sdf -rw-rw-r-- root/root 5487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e8r_615.sdf -rw-rw-r-- root/root 4303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e92_g6a.sdf -rw-rw-r-- root/root 2376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e9b_s2c.sdf -rw-rw-r-- root/root 5255 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e9h_kaa.sdf -rw-rw-r-- root/root 5447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e9i_xah.sdf -rw-rw-r-- root/root 3925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e9s_ttt.sdf -rw-rw-r-- root/root 3078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e9x_nim.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e9y_1ms.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3e9y_tdm.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ea4_2sm.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ea5_gdp.sdf -rw-rw-r-- root/root 2564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eah_327.sdf -rw-rw-r-- root/root 4113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eai_328.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eai_h4b.sdf -rw-rw-r-- root/root 4714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eau_pdn.sdf -rw-rw-r-- root/root 7453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eax_lzp.sdf -rw-rw-r-- root/root 4581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eb1_lzq.sdf -rw-rw-r-- root/root 2045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ebd_329.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ebd_h4b.sdf -rw-rw-r-- root/root 3855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ebf_332.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ebf_h4b.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ebh_bes.sdf -rw-rw-r-- root/root 4425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ebi_bey.sdf -rw-rw-r-- root/root 4377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ebl_ga4.sdf -rw-rw-r-- root/root 2371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ebs_n4e.sdf -rw-rw-r-- root/root 6759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ebz_017.sdf -rw-rw-r-- root/root 7106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ec0_grl.sdf -rw-rw-r-- root/root 6878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ecg_065.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ecn_ibm.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ed0_ben.sdf -rw-rw-r-- root/root 2810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ed0_emo.sdf -rw-rw-r-- root/root 4305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ed1_ga3.sdf -rw-rw-r-- root/root 5013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3edz_550.sdf -rw-rw-r-- root/root 2982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ee2_nzo.sdf -rw-rw-r-- root/root 1658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eeo_pdi.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eeo_sam.sdf -rw-rw-r-- root/root 5589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3efj_mt3.sdf -rw-rw-r-- root/root 5515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3efk_mt4.sdf -rw-rw-r-- root/root 4657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3efl_706.sdf -rw-rw-r-- root/root 4619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eft_3bs.sdf -rw-rw-r-- root/root 5232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3efw_ak8.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eg5_gnp.sdf -rw-rw-r-- root/root 6714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3egw_mgd.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eh9_adp.sdf -rw-rw-r-- root/root 4048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ehw_dup.sdf -rw-rw-r-- root/root 4081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ehx_bdl.sdf -rw-rw-r-- root/root 2745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ehy_tbl.sdf -rw-rw-r-- root/root 3994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ei5_pgu.sdf -rw-rw-r-- root/root 4702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ei6_pl4.sdf -rw-rw-r-- root/root 4536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ei8_pl5.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ei8_plp.sdf -rw-rw-r-- root/root 3837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ei9_pl6.sdf -rw-rw-r-- root/root 3837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eia_pl6.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eig_mtx.sdf -rw-rw-r-- root/root 5204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eio_ajh.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ej5_ej5.sdf -rw-rw-r-- root/root 3818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ejp_hn2.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ejp_mrd.sdf -rw-rw-r-- root/root 4078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ejq_hn3.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ejq_mrd.sdf -rw-rw-r-- root/root 4858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ejr_hn4.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ejr_mrd.sdf -rw-rw-r-- root/root 4930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ejs_hn5.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ejs_mrd.sdf -rw-rw-r-- root/root 4930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ejt_hn6.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ejt_mrd.sdf -rw-rw-r-- root/root 4858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eju_hn7.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eju_mrd.sdf -rw-rw-r-- root/root 2717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ejx_zdp.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ekd_pam.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eki_tpp.sdf -rw-rw-r-- root/root 6022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ekk_gs2.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ekl_13p.sdf -rw-rw-r-- root/root 2717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ekm_zdr.sdf -rw-rw-r-- root/root 6261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ekn_gs3.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eks_atp.sdf -rw-rw-r-- root/root 6663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eku_cy9.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ekz_13p.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ekz_g3p.sdf -rw-rw-r-- root/root 3514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3el3_el3.sdf -rw-rw-r-- root/root 5508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3el7_pd3.sdf -rw-rw-r-- root/root 4881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3el8_pd5.sdf -rw-rw-r-- root/root 3102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3elf_2fp.sdf -rw-rw-r-- root/root 5041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3elj_gs7.sdf -rw-rw-r-- root/root 5798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3elm_24f.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3emg_685.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eml_zma.sdf -rw-rw-r-- root/root 3193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3emq_hah.sdf -rw-rw-r-- root/root 4102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3emz_hxh.sdf -rw-rw-r-- root/root 2731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3en3_kai.sdf -rw-rw-r-- root/root 3797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3en4_ks1.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3en5_ks4.sdf -rw-rw-r-- root/root 3607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3en6_ks5.sdf -rw-rw-r-- root/root 3231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3en7_abj.sdf -rw-rw-r-- root/root 3170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ene_npz.sdf -rw-rw-r-- root/root 5908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ens_ens.sdf -rw-rw-r-- root/root 2314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3env_abf.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3enw_5rp.sdf -rw-rw-r-- root/root 4585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eoc_t2a.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eou_pk3.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ep3_pyr.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3epg_dcp.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3epk_dst.sdf -rw-rw-r-- root/root 1249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3epk_ppv.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3epm_hmh.sdf -rw-rw-r-- root/root 2861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3epn_irn.sdf -rw-rw-r-- root/root 2219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3epo_mp5.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eq6_amp.sdf -rw-rw-r-- root/root 4570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eq7_x99.sdf -rw-rw-r-- root/root 5542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eq8_x98.sdf -rw-rw-r-- root/root 6156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eq9_x97.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eqb_atp.sdf -rw-rw-r-- root/root 3614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eqb_lug.sdf -rw-rw-r-- root/root 3704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eqc_3bm.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eqc_ags.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eqd_ags.sdf -rw-rw-r-- root/root 5191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eqf_ksa.sdf -rw-rw-r-- root/root 3703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eqg_4bm.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eqg_adp.sdf -rw-rw-r-- root/root 3869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eqh_5bm.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eqh_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eqi_adp.sdf -rw-rw-r-- root/root 7323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eqp_t95.sdf -rw-rw-r-- root/root 6853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eqr_t74.sdf -rw-rw-r-- root/root 3639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3erg_gts.sdf -rw-rw-r-- root/root 4052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3erk_sb4.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3esn_dz1.sdf -rw-rw-r-- root/root 2564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eso_dz2.sdf -rw-rw-r-- root/root 3154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3esp_dz3.sdf -rw-rw-r-- root/root 2101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ess_18n.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3et1_et1.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3et2_et1.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3et3_et1.sdf -rw-rw-r-- root/root 5350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3et7_349.sdf -rw-rw-r-- root/root 6144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eta_351.sdf -rw-rw-r-- root/root 2387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3etd_b1t.sdf -rw-rw-r-- root/root 1550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3etr_luz.sdf -rw-rw-r-- root/root 528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3etr_mos.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3etr_mte.sdf -rw-rw-r-- root/root 1976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ets_4mu.sdf -rw-rw-r-- root/root 1458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ett_npo.sdf -rw-rw-r-- root/root 6270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eu5_gbo.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eub_mte.sdf -rw-rw-r-- root/root 1454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eub_xan.sdf -rw-rw-r-- root/root 3306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3euf_bau.sdf -rw-rw-r-- root/root 6270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3euv_gbo.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ew8_b3n.sdf -rw-rw-r-- root/root 5466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ewh_k11.sdf -rw-rw-r-- root/root 5416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ewj_642.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ewx_bmp.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ewy_u5p.sdf -rw-rw-r-- root/root 3245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ex1_6cn.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ex4_bmp.sdf -rw-rw-r-- root/root 3482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ex8_aif.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3exe_tpp.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3exf_tpp.sdf -rw-rw-r-- root/root 3641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ey4_352.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eyg_mi1.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eyh_iza.sdf -rw-rw-r-- root/root 2376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eyk_eyk.sdf -rw-rw-r-- root/root 6832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eyl_smk.sdf -rw-rw-r-- root/root 2376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3eym_eyk.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ez5_dad.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ezp_b3n.sdf -rw-rw-r-- root/root 5579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ezr_ezr.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ezt_b3n.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f06_b3n.sdf -rw-rw-r-- root/root 3387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f07_age.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f0b_53r.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f0g_c5p.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f0l_bla.sdf -rw-rw-r-- root/root 4986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f0q_52v.sdf -rw-rw-r-- root/root 4986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f0s_53t.sdf -rw-rw-r-- root/root 2906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f0t_ncv.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f0u_53r.sdf -rw-rw-r-- root/root 4986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f0v_52v.sdf -rw-rw-r-- root/root 4986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f0x_53t.sdf -rw-rw-r-- root/root 3461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f15_hs1.sdf -rw-rw-r-- root/root 2848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f16_hs3.sdf -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f17_hs4.sdf -rw-rw-r-- root/root 2765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f18_hs5.sdf -rw-rw-r-- root/root 2153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f19_hs6.sdf -rw-rw-r-- root/root 2143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f1a_hs7.sdf -rw-rw-r-- root/root 2981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f1o_2xy.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f1q_bce.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f28_s7b.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f2n_izz.sdf -rw-rw-r-- root/root 2484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f2p_s3b.sdf -rw-rw-r-- root/root 5793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f2r_hc6.sdf -rw-rw-r-- root/root 4258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f3m_pps.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f3t_1au.sdf -rw-rw-r-- root/root 4463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f3u_1aw.sdf -rw-rw-r-- root/root 6192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f3v_1bu.sdf -rw-rw-r-- root/root 6192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f3w_1bu.sdf -rw-rw-r-- root/root 5973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f3y_4oa.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f3y_a3p.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f46_i2c.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f47_i2c.sdf -rw-rw-r-- root/root 7841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f5j_ctt.sdf -rw-rw-r-- root/root 9718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f5k_ce5.sdf -rw-rw-r-- root/root 4088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f5l_lb2.sdf -rw-rw-r-- root/root 6094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f5p_741.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f5u_anp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f61_adp.sdf -rw-rw-r-- root/root 3860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f64_lec.sdf -rw-rw-r-- root/root 1141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f66_gbl.sdf -rw-rw-r-- root/root 4323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f66_ihx.sdf -rw-rw-r-- root/root 5044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f69_xdr.sdf -rw-rw-r-- root/root 5665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f6b_8pa.sdf -rw-rw-r-- root/root 4430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f6x_ihh.sdf -rw-rw-r-- root/root 1180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f78_icf.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f7b_ag5.sdf -rw-rw-r-- root/root 12282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f7d_p42.sdf -rw-rw-r-- root/root 7172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f7h_419.sdf -rw-rw-r-- root/root 6558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f7i_g13.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f7u_ag4.sdf -rw-rw-r-- root/root 3546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f7z_34o.sdf -rw-rw-r-- root/root 2209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f80_6hn.sdf -rw-rw-r-- root/root 2147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f81_stt.sdf -rw-rw-r-- root/root 5079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f82_353.sdf -rw-rw-r-- root/root 1513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f88_2ht.sdf -rw-rw-r-- root/root 3274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f88_3ht.sdf -rw-rw-r-- root/root 4552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f8s_pf2.sdf -rw-rw-r-- root/root 4261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f8y_dh1.sdf -rw-rw-r-- root/root 4261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f8z_dh1.sdf -rw-rw-r-- root/root 4261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f91_dh1.sdf -rw-rw-r-- root/root 1048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f9b_pdv.sdf -rw-rw-r-- root/root 6501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f9n_38m.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f9w_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f9x_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f9y_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3f9z_sah.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fa7_b3p.sdf -rw-rw-r-- root/root 3899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3faa_55f.sdf -rw-rw-r-- root/root 5183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fal_lo2.sdf -rw-rw-r-- root/root 2131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fat_amq.sdf -rw-rw-r-- root/root 8521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fc2_ibi.sdf -rw-rw-r-- root/root 6920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fc6_lx2.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fc6_rea.sdf -rw-rw-r-- root/root 3612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fc8_ifa.sdf -rw-rw-r-- root/root 3352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fcb_ifb.sdf -rw-rw-r-- root/root 3603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fcf_fcf.sdf -rw-rw-r-- root/root 3932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fci_3fi.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fcj_fad.sdf -rw-rw-r-- root/root 979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fcj_nie.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fck_fck.sdf -rw-rw-r-- root/root 4265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fcl_3fl.sdf -rw-rw-r-- root/root 5159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fco_iig.sdf -rw-rw-r-- root/root 2222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fcq_m3s.sdf -rw-rw-r-- root/root 4089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fdc_btf.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fdn_mmh.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fdz_3pg.sdf -rw-rw-r-- root/root 2137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fdz_dg2.sdf -rw-rw-r-- root/root 3425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fed_bix.sdf -rw-rw-r-- root/root 1889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fee_qus.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3feg_adp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3feg_amp.sdf -rw-rw-r-- root/root 4654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fei_ctm.sdf -rw-rw-r-- root/root 4654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fej_ctm.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fel_b3p.sdf -rw-rw-r-- root/root 6432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ff6_rcp.sdf -rw-rw-r-- root/root 5128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ffi_3ob.sdf -rw-rw-r-- root/root 4032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fg5_ajm.sdf -rw-rw-r-- root/root 2306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fgd_bya.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fgo_cza.sdf -rw-rw-r-- root/root 3735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fh5_24p.sdf -rw-rw-r-- root/root 4578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fh7_25p.sdf -rw-rw-r-- root/root 3995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fh8_27p.sdf -rw-rw-r-- root/root 1600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fhb_gab.sdf -rw-rw-r-- root/root 4429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fhe_28p.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fhj_amp.sdf -rw-rw-r-- root/root 3902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fhr_p4o.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fhx_plp.sdf -rw-rw-r-- root/root 1954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fhx_pxl.sdf -rw-rw-r-- root/root 5565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fi2_jk1.sdf -rw-rw-r-- root/root 5785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fi3_jk2.sdf -rw-rw-r-- root/root 4274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fi4_fi4.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fj6_cih.sdf -rw-rw-r-- root/root 3849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fjl_cjh.sdf -rw-rw-r-- root/root 1667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fjz_gpf.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fjz_s3p.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fk0_s3p.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fk7_4dm.sdf -rw-rw-r-- root/root 3494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fkb_tnm.sdf -rw-rw-r-- root/root 3952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fkb_tnv.sdf -rw-rw-r-- root/root 5378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fkl_fkl.sdf -rw-rw-r-- root/root 3756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fkn_fkn.sdf -rw-rw-r-- root/root 956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fl1_cgp.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fl1_tre.sdf -rw-rw-r-- root/root 2647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fl5_txq.sdf -rw-rw-r-- root/root 5648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3flf_ub3.sdf -rw-rw-r-- root/root 5114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fli_33y.sdf -rw-rw-r-- root/root 4240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fln_3fn.sdf -rw-rw-r-- root/root 4489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3flw_flw.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3flz_flz.sdf -rw-rw-r-- root/root 4298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fmd_iqb.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fme_stu.sdf -rw-rw-r-- root/root 3220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fmf_dsd.sdf -rw-rw-r-- root/root 2693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fmi_kap.sdf -rw-rw-r-- root/root 4304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fmz_2t1.sdf -rw-rw-r-- root/root 3346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fne_8pc.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fne_nad.sdf -rw-rw-r-- root/root 3425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fnf_jpm.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fnf_nad.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fng_jpl.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fng_nad.sdf -rw-rw-r-- root/root 3691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fnh_jpj.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fnh_nad.sdf -rw-rw-r-- root/root 1690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fnl_sha.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fo7_imn.sdf -rw-rw-r-- root/root 2717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3foo_pxx.sdf -rw-rw-r-- root/root 2518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3for_znp.sdf -rw-rw-r-- root/root 4173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fp0_fp0.sdf -rw-rw-r-- root/root 2975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fpa_dtb.sdf -rw-rw-r-- root/root 6668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fpd_q4a.sdf -rw-rw-r-- root/root 3409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fpm_793.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fps_cza.sdf -rw-rw-r-- root/root 3907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fq0_n22.sdf -rw-rw-r-- root/root 3845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fq7_pxg.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fq8_pmp.sdf -rw-rw-r-- root/root 1600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fqa_gab.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fqa_pmp.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fqc_55v.sdf -rw-rw-r-- root/root 4443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fqe_p5c.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fqf_55v.sdf -rw-rw-r-- root/root 4478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fqh_057.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fqj_gdp.sdf -rw-rw-r-- root/root 4939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fqk_79z.sdf -rw-rw-r-- root/root 4939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fql_79z.sdf -rw-rw-r-- root/root 3907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fqo_n22.sdf -rw-rw-r-- root/root 5219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fqs_585.sdf -rw-rw-r-- root/root 4470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fqv_11f.sdf -rw-rw-r-- root/root 4470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fqz_11f.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fr0_ajb.sdf -rw-rw-r-- root/root 3852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fr2_8ca.sdf -rw-rw-r-- root/root 6473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fr3_gds.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fr4_f8a.sdf -rw-rw-r-- root/root 4480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fr5_i4a.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fr9_gsh.sdf -rw-rw-r-- root/root 4386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fra_i2h.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3frb_top.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3frc_0hg.sdf -rw-rw-r-- root/root 4840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3frd_dhf.sdf -rw-rw-r-- root/root 3956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3frg_sk4.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3frj_a49.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3frz_ag0.sdf -rw-rw-r-- root/root 4261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fs6_dh1.sdf -rw-rw-r-- root/root 5474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fsf_fss.sdf -rw-rw-r-- root/root 4221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fsk_ro6.sdf -rw-rw-r-- root/root 1656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fst_mry.sdf -rw-rw-r-- root/root 5266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fsu_c2f.sdf -rw-rw-r-- root/root 1656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fsu_mry.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ft8_moj.sdf -rw-rw-r-- root/root 2681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fts_stl.sdf -rw-rw-r-- root/root 2850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ftu_re2.sdf -rw-rw-r-- root/root 2402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ftv_11x.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ftx_bes.sdf -rw-rw-r-- root/root 2850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ftx_re2.sdf -rw-rw-r-- root/root 2497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fty_3ip.sdf -rw-rw-r-- root/root 2496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ftz_848.sdf -rw-rw-r-- root/root 2164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fu0_22f.sdf -rw-rw-r-- root/root 1976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fu3_92g.sdf -rw-rw-r-- root/root 1965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fu5_492.sdf -rw-rw-r-- root/root 2225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fu6_80g.sdf -rw-rw-r-- root/root 3656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fu7_d2m.sdf -rw-rw-r-- root/root 1940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fu8_3dm.sdf -rw-rw-r-- root/root 2033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fu9_kib.sdf -rw-rw-r-- root/root 1529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fue_11s.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fue_bes.sdf -rw-rw-r-- root/root 1528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fuf_14o.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fuf_bes.sdf -rw-rw-r-- root/root 4972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fug_2e3.sdf -rw-rw-r-- root/root 1611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fuh_5h1.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fuh_bes.sdf -rw-rw-r-- root/root 3911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fui_812.sdf -rw-rw-r-- root/root 2863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fuj_00g.sdf -rw-rw-r-- root/root 3737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fuk_58z.sdf -rw-rw-r-- root/root 3831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ful_52d.sdf -rw-rw-r-- root/root 3997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fum_80a.sdf -rw-rw-r-- root/root 4303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fun_798.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fup_mi1.sdf -rw-rw-r-- root/root 4028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fur_z12.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fv1_dyh.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fv2_ndz.sdf -rw-rw-r-- root/root 6038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fv4_1u4.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fv5_1eu.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fv8_jk3.sdf -rw-rw-r-- root/root 2116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fvf_1jz.sdf -rw-rw-r-- root/root 3194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fvg_ms8.sdf -rw-rw-r-- root/root 2710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fvi_osf.sdf -rw-rw-r-- root/root 3286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fvk_8dx.sdf -rw-rw-r-- root/root 2752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fvl_bhk.sdf -rw-rw-r-- root/root 3286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fvn_9dx.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fvo_8ep.sdf -rw-rw-r-- root/root 5127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fvp_ub2.sdf -rw-rw-r-- root/root 2134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fw0_hh3.sdf -rw-rw-r-- root/root 6180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fw1_sti.sdf -rw-rw-r-- root/root 3204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fw3_ets.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fw4_caq.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fw5_mct.sdf -rw-rw-r-- root/root 4113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fw9_slx.sdf -rw-rw-r-- root/root 4268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fwa_ren.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fwn_6pg.sdf -rw-rw-r-- root/root 3519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fx4_fx4.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fx6_bpx.sdf -rw-rw-r-- root/root 5671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fxp_d38.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fxr_asc.sdf -rw-rw-r-- root/root 1772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fxu_tsu.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fxv_643.sdf -rw-rw-r-- root/root 3440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fxw_f10.sdf -rw-rw-r-- root/root 2893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fy1_na1.sdf -rw-rw-r-- root/root 4386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fy9_xcf.sdf -rw-rw-r-- root/root 5636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fyg_gpr.sdf -rw-rw-r-- root/root 3134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fyk_b98.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fyo_pep.sdf -rw-rw-r-- root/root 4386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fyw_xcf.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fzf_atp.sdf -rw-rw-r-- root/root 3145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fzh_3bh.sdf -rw-rw-r-- root/root 4338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fzk_3bk.sdf -rw-rw-r-- root/root 5612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fzl_3fd.sdf -rw-rw-r-- root/root 6060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fzm_3go.sdf -rw-rw-r-- root/root 6106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fzn_d7k.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fzp_ags.sdf -rw-rw-r-- root/root 5149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fzr_3jz.sdf -rw-rw-r-- root/root 6865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fzs_b96.sdf -rw-rw-r-- root/root 5459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fzt_4jz.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3fzw_equ.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g0b_t22.sdf -rw-rw-r-- root/root 4398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g0c_ruf.sdf -rw-rw-r-- root/root 4748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g0d_xih.sdf -rw-rw-r-- root/root 5074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g0e_b49.sdf -rw-rw-r-- root/root 3854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g0g_rum.sdf -rw-rw-r-- root/root 3599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g0u_mdy.sdf -rw-rw-r-- root/root 3437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g0w_lgb.sdf -rw-rw-r-- root/root 3600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g0x_md7.sdf -rw-rw-r-- root/root 5544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g0y_p9a.sdf -rw-rw-r-- root/root 6453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g11_p9c.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g15_adp.sdf -rw-rw-r-- root/root 5793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g15_hc6.sdf -rw-rw-r-- root/root 3589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g1f_2om.sdf -rw-rw-r-- root/root 1655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g1h_h2u.sdf -rw-rw-r-- root/root 2620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g1l_rf2.sdf -rw-rw-r-- root/root 3792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g1m_rf3.sdf -rw-rw-r-- root/root 4001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g1o_rf1.sdf -rw-rw-r-- root/root 5638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g1r_fit.sdf -rw-rw-r-- root/root 3152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g1v_5fu.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g1z_amp.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g24_up6.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g2f_adp.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g2h_imp.sdf -rw-rw-r-- root/root 1799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g3e_g3e.sdf -rw-rw-r-- root/root 2905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g3n_tc8.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g42_792.sdf -rw-rw-r-- root/root 3834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g45_988.sdf -rw-rw-r-- root/root 4362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g49_3g4.sdf -rw-rw-r-- root/root 4650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g4f_fpf.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g4g_d71.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g4i_d71.sdf -rw-rw-r-- root/root 531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g4q_mch.sdf -rw-rw-r-- root/root 1038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g4u_0cl.sdf -rw-rw-r-- root/root 1545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g4v_7cl.sdf -rw-rw-r-- root/root 1153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g4w_8cl.sdf -rw-rw-r-- root/root 1411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g4y_9cl.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g51_anp.sdf -rw-rw-r-- root/root 1673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g52_cee.sdf -rw-rw-r-- root/root 1930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g53_lt1.sdf -rw-rw-r-- root/root 3834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g58_988.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g5d_1n1.sdf -rw-rw-r-- root/root 3390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g5e_q74.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g5h_ytt.sdf -rw-rw-r-- root/root 2924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g5i_dnb.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g5k_bb2.sdf -rw-rw-r-- root/root 2614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g5m_xm5.sdf -rw-rw-r-- root/root 2966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g5n_pb2.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g5r_thg.sdf -rw-rw-r-- root/root 7535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g6g_g6g.sdf -rw-rw-r-- root/root 6784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g6h_g6h.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g6v_atp.sdf -rw-rw-r-- root/root 2313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g6w_hsx.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g6w_prp.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g6x_dgt.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g6y_ttp.sdf -rw-rw-r-- root/root 7423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g6z_a7t.sdf -rw-rw-r-- root/root 6837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g70_a5t.sdf -rw-rw-r-- root/root 6837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g72_a6t.sdf -rw-rw-r-- root/root 2707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g75_b48.sdf -rw-rw-r-- root/root 11515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g76_cz3.sdf -rw-rw-r-- root/root 4749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g7b_b47.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g7e_b46.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g7v_mal.sdf -rw-rw-r-- root/root 5965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g7w_mlr.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g81_mma.sdf -rw-rw-r-- root/root 5790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g82_mi3.sdf -rw-rw-r-- root/root 5278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g86_t18.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g8c_btn.sdf -rw-rw-r-- root/root 6869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g8e_is1.sdf -rw-rw-r-- root/root 4937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g8i_ro7.sdf -rw-rw-r-- root/root 3670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g8o_30x.sdf -rw-rw-r-- root/root 3460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g90_j72.sdf -rw-rw-r-- root/root 2966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g93_pb2.sdf -rw-rw-r-- root/root 4937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g9e_ro7.sdf -rw-rw-r-- root/root 4712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g9l_j67.sdf -rw-rw-r-- root/root 4360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3g9n_j88.sdf -rw-rw-r-- root/root 2281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gal_1gn.sdf -rw-rw-r-- root/root 2933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gam_mxx.sdf -rw-rw-r-- root/root 11572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gan_svr.sdf -rw-rw-r-- root/root 3534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gb2_g3b.sdf -rw-rw-r-- root/root 1453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gb9_a2f.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gba_dyh.sdf -rw-rw-r-- root/root 3194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gbb_ms8.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gbr_prp.sdf -rw-rw-r-- root/root 4389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gc4_aaq.sdf -rw-rw-r-- root/root 3228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gc5_2mq.sdf -rw-rw-r-- root/root 5757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gc9_b45.sdf -rw-rw-r-- root/root 2202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gch_oac.sdf -rw-rw-r-- root/root 1690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gcj_sha.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gck_bho.sdf -rw-rw-r-- root/root 5941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gd2_708.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gdl_up6.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gdt_up6.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gdx_4bd.sdf -rw-rw-r-- root/root 4635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ge7_afq.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gee_gdp.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gei_gcp.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gen_b43.sdf -rw-rw-r-- root/root 3224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gep_24h.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3geq_pp2.sdf -rw-rw-r-- root/root 3585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gey_p34.sdf -rw-rw-r-- root/root 4965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gfe_p37.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gfw_7pe.sdf -rw-rw-r-- root/root 6447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gfw_s22.sdf -rw-rw-r-- root/root 2954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ggc_h26.sdf -rw-rw-r-- root/root 4436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ggf_gvd.sdf -rw-rw-r-- root/root 3130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ggj_25h.sdf -rw-rw-r-- root/root 2882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ggs_2fd.sdf -rw-rw-r-- root/root 4769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ghc_ghc.sdf -rw-rw-r-- root/root 4769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ghv_ghc.sdf -rw-rw-r-- root/root 4509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ghw_ghw.sdf -rw-rw-r-- root/root 4509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gi2_ghw.sdf -rw-rw-r-- root/root 2831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gia_d10.sdf -rw-rw-r-- root/root 7229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gid_s1a.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gij_dgt.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gil_dgt.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gim_dgt.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gj5_gdp.sdf -rw-rw-r-- root/root 3237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gjr_dze.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gjw_gjw.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gjx_gtp.sdf -rw-rw-r-- root/root 3267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gk1_32a.sdf -rw-rw-r-- root/root 3446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gk2_27a.sdf -rw-rw-r-- root/root 4385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gk4_53a.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gki_clr.sdf -rw-rw-r-- root/root 6659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gkj_hc3.sdf -rw-rw-r-- root/root 2441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gkn_bih.sdf -rw-rw-r-- root/root 1372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gko_aza.sdf -rw-rw-r-- root/root 1234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gky_iph.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gls_pge.sdf -rw-rw-r-- root/root 2599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3glz_1bd.sdf -rw-rw-r-- root/root 4397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gmd_2m3.sdf -rw-rw-r-- root/root 1905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gmz_orn.sdf -rw-rw-r-- root/root 1891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gn0_dmo.sdf -rw-rw-r-- root/root 3123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gn7_3gn.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gni_atp.sdf -rw-rw-r-- root/root 6015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gnv_xnz.sdf -rw-rw-r-- root/root 6934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gnw_xnc.sdf -rw-rw-r-- root/root 1906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gnx_xyl.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3goi_loi.sdf -rw-rw-r-- root/root 3902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gok_p4o.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gol_xnd.sdf -rw-rw-r-- root/root 5622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gp0_nil.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gp5_3pg.sdf -rw-rw-r-- root/root 3818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gp6_sds.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gpc_coa.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gph_oid.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gqe_bcn.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gqi_acp.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gql_gql.sdf -rw-rw-r-- root/root 2965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gqo_apr.sdf -rw-rw-r-- root/root 86 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gqq_unl.sdf -rw-rw-r-- root/root 4771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gqy_dzg.sdf -rw-rw-r-- root/root 2861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gqz_gf7.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gr2_gf4.sdf -rw-rw-r-- root/root 4439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gr4_dyy.sdf -rw-rw-r-- root/root 2071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3grj_g14.sdf -rw-rw-r-- root/root 3331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gs0_6bd.sdf -rw-rw-r-- root/root 3062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gs4_7bd.sdf -rw-rw-r-- root/root 4527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gs6_np6.sdf -rw-rw-r-- root/root 1600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gsb_gab.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gsb_pmp.sdf -rw-rw-r-- root/root 2944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gsg_gf1.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gsi_thg.sdf -rw-rw-r-- root/root 3435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gsm_vpu.sdf -rw-rw-r-- root/root 5636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gst_gpr.sdf -rw-rw-r-- root/root 3882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gsy_deh.sdf -rw-rw-r-- root/root 1913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gt3_brv.sdf -rw-rw-r-- root/root 1911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gt4_i3c.sdf -rw-rw-r-- root/root 6499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gt9_516.sdf -rw-rw-r-- root/root 6499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gta_851.sdf -rw-rw-r-- root/root 2579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gtc_gtc.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gu4_anp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gu5_anp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gu6_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gu7_adp.sdf -rw-rw-r-- root/root 4113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gu8_3gu.sdf -rw-rw-r-- root/root 4397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gub_gub.sdf -rw-rw-r-- root/root 1538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gug_c2u.sdf -rw-rw-r-- root/root 6531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gur_byg.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gus_gsh.sdf -rw-rw-r-- root/root 3247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gus_n11.sdf -rw-rw-r-- root/root 3696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gv5_adi.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gv7_ttp.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gv8_dgt.sdf -rw-rw-r-- root/root 1784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gv9_gv9.sdf -rw-rw-r-- root/root 2505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gvb_3gv.sdf -rw-rw-r-- root/root 6180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gvu_sti.sdf -rw-rw-r-- root/root 7212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gw5_72x.sdf -rw-rw-r-- root/root 5739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gwt_066.sdf -rw-rw-r-- root/root 4620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gwx_epa.sdf -rw-rw-r-- root/root 3995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gxl_qig.sdf -rw-rw-r-- root/root 4039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gxo_mqa.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gxt_noj.sdf -rw-rw-r-- root/root 4428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gy3_pnt.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gyf_51p.sdf -rw-rw-r-- root/root 6322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gyn_b42.sdf -rw-rw-r-- root/root 5393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gz9_d32.sdf -rw-rw-r-- root/root 3867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gzj_evs.sdf -rw-rw-r-- root/root 2051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3gzx_bnl.sdf -rw-rw-r-- root/root 2935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h03_ubp.sdf -rw-rw-r-- root/root 3600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h06_vbp.sdf -rw-rw-r-- root/root 6281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h0a_d30.sdf -rw-rw-r-- root/root 5434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h0c_ps4.sdf -rw-rw-r-- root/root 2683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h0f_pg5.sdf -rw-rw-r-- root/root 5669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h0j_b36.sdf -rw-rw-r-- root/root 5933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h0q_b37.sdf -rw-rw-r-- root/root 4504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h0s_b38.sdf -rw-rw-r-- root/root 3650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h0v_m2t.sdf -rw-rw-r-- root/root 3826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h0w_n8m.sdf -rw-rw-r-- root/root 4533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h0y_48b.sdf -rw-rw-r-- root/root 5966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h10_97b.sdf -rw-rw-r-- root/root 4985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h1v_tk1.sdf -rw-rw-r-- root/root 5422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h2l_yak.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h30_rfz.sdf -rw-rw-r-- root/root 5092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h3c_p1e.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h3f_nai.sdf -rw-rw-r-- root/root 880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h3f_oxm.sdf -rw-rw-r-- root/root 5849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h3q_h13.sdf -rw-rw-r-- root/root 6109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h3r_14h.sdf -rw-rw-r-- root/root 6369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h3s_h15.sdf -rw-rw-r-- root/root 6629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h3t_16h.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h40_bru.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h4b_bru.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h4b_dtp.sdf -rw-rw-r-- root/root 2819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h4g_fid.sdf -rw-rw-r-- root/root 5114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h4v_dvp.sdf -rw-rw-r-- root/root 6041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h52_486.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h55_gla.sdf -rw-rw-r-- root/root 6178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h59_h59.sdf -rw-rw-r-- root/root 6285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h5s_h5s.sdf -rw-rw-r-- root/root 5658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h5u_h5u.sdf -rw-rw-r-- root/root 2136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h61_enl.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h63_nhc.sdf -rw-rw-r-- root/root 4500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h6k_33t.sdf -rw-rw-r-- root/root 3449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h6o_d8g.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h73_dan.sdf -rw-rw-r-- root/root 1872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h7j_ppy.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h7q_bcn.sdf -rw-rw-r-- root/root 2750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h7w_018.sdf -rw-rw-r-- root/root 2752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h82_020.sdf -rw-rw-r-- root/root 12128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h89_nsx.sdf -rw-rw-r-- root/root 12034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h8b_nsy.sdf -rw-rw-r-- root/root 9165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h8c_nsz.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h8g_bes.sdf -rw-rw-r-- root/root 5030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h98_b5p.sdf -rw-rw-r-- root/root 1872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h9a_ppy.sdf -rw-rw-r-- root/root 6150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h9f_92m.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h9k_ufp.sdf -rw-rw-r-- root/root 4221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h9o_9bd.sdf -rw-rw-r-- root/root 5016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3h9r_tak.sdf -rw-rw-r-- root/root 5857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ha6_2jz.sdf -rw-rw-r-- root/root 3984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hab_677.sdf -rw-rw-r-- root/root 3359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hac_361.sdf -rw-rw-r-- root/root 5522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hb4_e2b.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hb5_nap.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hb8_ump.sdf -rw-rw-r-- root/root 3098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hbf_myc.sdf -rw-rw-r-- root/root 5256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hc5_82x.sdf -rw-rw-r-- root/root 5599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hc6_088.sdf -rw-rw-r-- root/root 5954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hc8_pd4.sdf -rw-rw-r-- root/root 1809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hcb_lt2.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hcb_sah.sdf -rw-rw-r-- root/root 2600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hcc_lt3.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hcc_sah.sdf -rw-rw-r-- root/root 2127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hcd_lnr.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hcd_sah.sdf -rw-rw-r-- root/root 2233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hcf_lt5.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hcf_sah.sdf -rw-rw-r-- root/root 2702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hch_rsm.sdf -rw-rw-r-- root/root 2952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hcm_s45.sdf -rw-rw-r-- root/root 6516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hcp_fde.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hd1_apc.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hd2_apc.sdf -rw-rw-r-- root/root 1630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hd2_pe0.sdf -rw-rw-r-- root/root 3534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hdm_mmg.sdf -rw-rw-r-- root/root 4347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hdn_gmg.sdf -rw-rw-r-- root/root 3748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hdz_pd6.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3he2_pge.sdf -rw-rw-r-- root/root 4947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hek_bd0.sdf -rw-rw-r-- root/root 4567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hem_d22.sdf -rw-rw-r-- root/root 5116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hf6_lx0.sdf -rw-rw-r-- root/root 5514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hf8_ml0.sdf -rw-rw-r-- root/root 5376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hfb_ml4.sdf -rw-rw-r-- root/root 4687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hfg_17r.sdf -rw-rw-r-- root/root 3471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hfj_dz9.sdf -rw-rw-r-- root/root 2448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hfx_152.sdf -rw-rw-r-- root/root 2210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hfz_mty.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hgi_bez.sdf -rw-rw-r-- root/root 5470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hhk_77z.sdf -rw-rw-r-- root/root 5028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hhm_kwt.sdf -rw-rw-r-- root/root 4916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hhu_819.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hhx_pyg.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hhy_caq.sdf -rw-rw-r-- root/root 3305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hig_brn.sdf -rw-rw-r-- root/root 4428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hii_pnt.sdf -rw-rw-r-- root/root 16177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hio_c2x.sdf -rw-rw-r-- root/root 1339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hj8_4cl.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hjq_mbd.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hjs_mct.sdf -rw-rw-r-- root/root 3072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hk1_b64.sdf -rw-rw-r-- root/root 3639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hkk_gts.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hkk_plm.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hkp_dhb.sdf -rw-rw-r-- root/root 4436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hkt_2sd.sdf -rw-rw-r-- root/root 1681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hkv_3ab.sdf -rw-rw-r-- root/root 6639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hkw_ix6.sdf -rw-rw-r-- root/root 6639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hky_ix6.sdf -rw-rw-r-- root/root 6737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hl5_9jz.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hl7_i47.sdf -rw-rw-r-- root/root 3306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hl8_bbp.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hlc_pg4.sdf -rw-rw-r-- root/root 4835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hld_mja.sdf -rw-rw-r-- root/root 4835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hle_mja.sdf -rw-rw-r-- root/root 6320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hlf_sim.sdf -rw-rw-r-- root/root 6063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hlg_lva.sdf -rw-rw-r-- root/root 4501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hll_i45.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hlp_mrd.sdf -rw-rw-r-- root/root 2856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hlx_pqq.sdf -rw-rw-r-- root/root 3824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hmi_dki.sdf -rw-rw-r-- root/root 3593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hmm_855.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hmn_7pe.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hmn_atp.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hmo_7pe.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hmo_stu.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hmp_7pe.sdf -rw-rw-r-- root/root 2605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hmp_cx4.sdf -rw-rw-r-- root/root 3882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hmv_hbt.sdf -rw-rw-r-- root/root 5346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hnb_768.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hnd_ttp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hne_atp.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hnf_dtp.sdf -rw-rw-r-- root/root 3689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hng_8st.sdf -rw-rw-r-- root/root 3519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hnh_ahq.sdf -rw-rw-r-- root/root 5379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hnz_pmn.sdf -rw-rw-r-- root/root 4380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ho0_dkd.sdf -rw-rw-r-- root/root 5271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ho2_n32.sdf -rw-rw-r-- root/root 5365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ho9_n3a.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hod_zzh.sdf -rw-rw-r-- root/root 1874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hof_dhc.sdf -rw-rw-r-- root/root 4877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hok_q80.sdf -rw-rw-r-- root/root 2850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hp1_llt.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hp6_d3t.sdf -rw-rw-r-- root/root 3162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hp9_cf1.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hpi_suc.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hpo_ttp.sdf -rw-rw-r-- root/root 5446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hpt_yet.sdf -rw-rw-r-- root/root 4212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hq5_gkk.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hqo_atp.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hqr_oga.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hqt_plp.sdf -rw-rw-r-- root/root 2621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hqu_un9.sdf -rw-rw-r-- root/root 4054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hqw_pf4.sdf -rw-rw-r-- root/root 4609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hqy_pf6.sdf -rw-rw-r-- root/root 4349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hqz_pf8.sdf -rw-rw-r-- root/root 4609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hr1_pf9.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hrf_p47.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hrq_plm.sdf -rw-rw-r-- root/root 3393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hrr_hc8.sdf -rw-rw-r-- root/root 4786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hs5_acd.sdf -rw-rw-r-- root/root 4620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hs6_epa.sdf -rw-rw-r-- root/root 4974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hs7_hxa.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hsc_adp.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hsg_apc.sdf -rw-rw-r-- root/root 5965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hst_mlr.sdf -rw-rw-r-- root/root 1514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hsw_mcw.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ht0_apc.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ht3_dcp.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ht5_pmp.sdf -rw-rw-r-- root/root 13931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3huj_agh.sdf -rw-rw-r-- root/root 6130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hvi_619.sdf -rw-rw-r-- root/root 6388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hvj_705.sdf -rw-rw-r-- root/root 6222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hvk_719.sdf -rw-rw-r-- root/root 3801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hvo_vgi.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hw3_u5p.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hw5_amp.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hw8_d3t.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hw9_p6g.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hwb_p6g.sdf -rw-rw-r-- root/root 6625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hwe_rks.sdf -rw-rw-r-- root/root 6270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hwf_tc2.sdf -rw-rw-r-- root/root 6187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hwg_qed.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hwt_d3t.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hx0_d3t.sdf -rw-rw-r-- root/root 7345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hxb_bd5.sdf -rw-rw-r-- root/root 7712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hxc_bd6.sdf -rw-rw-r-- root/root 7426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hxd_bd7.sdf -rw-rw-r-- root/root 10016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hxe_bd8.sdf -rw-rw-r-- root/root 9743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hxf_bd9.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hxu_a5a.sdf -rw-rw-r-- root/root 4042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hxv_g5a.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hxw_ssa.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hxx_acp.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hxy_5al.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hxy_mdn.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hxz_a5a.sdf -rw-rw-r-- root/root 4042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hy0_g5a.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hy1_ssa.sdf -rw-rw-r-- root/root 4625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hy7_097.sdf -rw-rw-r-- root/root 5531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hy9_098.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hyg_099.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hyv_lmt.sdf -rw-rw-r-- root/root 4725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hyw_dcq.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hyw_lmt.sdf -rw-rw-r-- root/root 5461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hyx_auk.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hyx_lmt.sdf -rw-rw-r-- root/root 4303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3hz5_z64.sdf -rw-rw-r-- root/root 4493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i0a_2ds.sdf -rw-rw-r-- root/root 4547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i0a_3et.sdf -rw-rw-r-- root/root 1612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i0a_dbh.sdf -rw-rw-r-- root/root 7111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i0a_mcj.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i0k_udp.sdf -rw-rw-r-- root/root 4490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i0r_rt3.sdf -rw-rw-r-- root/root 4254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i0s_rt7.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i1y_33n.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i28_34n.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i3s_gnp.sdf -rw-rw-r-- root/root 4939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i4b_z48.sdf -rw-rw-r-- root/root 1339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i4v_3ce.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i4x_dst.sdf -rw-rw-r-- root/root 1349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i4y_35c.sdf -rw-rw-r-- root/root 1349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i51_45c.sdf -rw-rw-r-- root/root 2693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i58_7na.sdf -rw-rw-r-- root/root 4256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i5n_b2d.sdf -rw-rw-r-- root/root 2339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i5u_5na.sdf -rw-rw-r-- root/root 4939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i5z_z48.sdf -rw-rw-r-- root/root 4951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i60_e86.sdf -rw-rw-r-- root/root 2173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i64_dna.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i65_jz8.sdf -rw-rw-r-- root/root 3720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i68_j4z.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i6a_gsh.sdf -rw-rw-r-- root/root 1411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i6c_gia.sdf -rw-rw-r-- root/root 5675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i6m_g3x.sdf -rw-rw-r-- root/root 1432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i6n_isz.sdf -rw-rw-r-- root/root 7751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i6o_gr6.sdf -rw-rw-r-- root/root 2906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i6r_j5z.sdf -rw-rw-r-- root/root 6534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i6z_g6x.sdf -rw-rw-r-- root/root 4457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i7g_732.sdf -rw-rw-r-- root/root 6014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i7i_518.sdf -rw-rw-r-- root/root 5330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i81_ebi.sdf -rw-rw-r-- root/root 5319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i8p_840.sdf -rw-rw-r-- root/root 1648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i8r_dtv.sdf -rw-rw-r-- root/root 7150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i8u_18b.sdf -rw-rw-r-- root/root 3789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i8v_0mo.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i94_bl3.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i95_bla.sdf -rw-rw-r-- root/root 4685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i97_8dr.sdf -rw-rw-r-- root/root 5256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i9n_avw.sdf -rw-rw-r-- root/root 1648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i9t_dtv.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3i9u_dtu.sdf -rw-rw-r-- root/root 5020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ia6_unt.sdf -rw-rw-r-- root/root 4352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iad_15x.sdf -rw-rw-r-- root/root 6106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iae_d7k.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iaf_tpp.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iai_azm.sdf -rw-rw-r-- root/root 4197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iak_ev1.sdf -rw-rw-r-- root/root 2874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iar_3d1.sdf -rw-rw-r-- root/root 1959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iaz_ain.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ib0_dif.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ib1_imn.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ib2_ibp.sdf -rw-rw-r-- root/root 1798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ibd_cpz.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ibh_gsh.sdf -rw-rw-r-- root/root 2933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ic0_b77.sdf -rw-rw-r-- root/root 2951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3icv_btb.sdf -rw-rw-r-- root/root 5008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3idp_l1e.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ie3_gsh.sdf -rw-rw-r-- root/root 3247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ie3_n11.sdf -rw-rw-r-- root/root 6196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iej_599.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ier_pg4.sdf -rw-rw-r-- root/root 5924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ies_m24.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iew_cdp.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iew_ctp.sdf -rw-rw-r-- root/root 7170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ig6_438.sdf -rw-rw-r-- root/root 5315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3igv_b80.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ii0_plp.sdf -rw-rw-r-- root/root 1503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ii0_tar.sdf -rw-rw-r-- root/root 5682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ii5_831.sdf -rw-rw-r-- root/root 2402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iiq_jza.sdf -rw-rw-r-- root/root 8583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iis_pid.sdf -rw-rw-r-- root/root 8583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iiu_pid.sdf -rw-rw-r-- root/root 2873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iix_5ad.sdf -rw-rw-r-- root/root 2626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ijc_nds.sdf -rw-rw-r-- root/root 3091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ijg_avr.sdf -rw-rw-r-- root/root 3091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ijj_avr.sdf -rw-rw-r-- root/root 1959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ijj_en1.sdf -rw-rw-r-- root/root 6026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ik3_0li.sdf -rw-rw-r-- root/root 5885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ik9_bob.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ikd_j9z.sdf -rw-rw-r-- root/root 1245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ike_cyt.sdf -rw-rw-r-- root/root 1528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ikf_717.sdf -rw-rw-r-- root/root 4159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ikg_j8z.sdf -rw-rw-r-- root/root 2513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ikp_ipd.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3il4_aco.sdf -rw-rw-r-- root/root 4204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3il5_b82.sdf -rw-rw-r-- root/root 5542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3il6_b83.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ilj_apc.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ilo_apc.sdf -rw-rw-r-- root/root 2150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ilo_ph2.sdf -rw-rw-r-- root/root 4332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ilz_b72.sdf -rw-rw-r-- root/root 1880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3imc_bz3.sdf -rw-rw-r-- root/root 6220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3imd_fyq.sdf -rw-rw-r-- root/root 1725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ime_bz2.sdf -rw-rw-r-- root/root 1725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3img_bz2.sdf -rw-rw-r-- root/root 1880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3img_bz3.sdf -rw-rw-r-- root/root 6222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3imj_ayi.sdf -rw-rw-r-- root/root 2553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3imr_iw1.sdf -rw-rw-r-- root/root 2719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ims_iw2.sdf -rw-rw-r-- root/root 3320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3imw_iw6.sdf -rw-rw-r-- root/root 6349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3imx_b84.sdf -rw-rw-r-- root/root 4332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3imy_b72.sdf -rw-rw-r-- root/root 3963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3in3_472.sdf -rw-rw-r-- root/root 6066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3in7_ayq.sdf -rw-rw-r-- root/root 6362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3in8_fyi.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3inh_569.sdf -rw-rw-r-- root/root 2993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3inj_bxb.sdf -rw-rw-r-- root/root 2993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3inl_bxb.sdf -rw-rw-r-- root/root 9143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3inq_x0j.sdf -rw-rw-r-- root/root 3831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3inv_c50.sdf -rw-rw-r-- root/root 5604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3inw_jzb.sdf -rw-rw-r-- root/root 5594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3inx_jzc.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iny_7dg.sdf -rw-rw-r-- root/root 4999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3io7_1p5.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iob_a4d.sdf -rw-rw-r-- root/root 4230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ioc_a5d.sdf -rw-rw-r-- root/root 4455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iod_a6d.sdf -rw-rw-r-- root/root 4195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ioe_a7d.sdf -rw-rw-r-- root/root 3513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iof_ifs.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iog_sdf.sdf -rw-rw-r-- root/root 6315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ioi_1gw.sdf -rw-rw-r-- root/root 3890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iok_1p6.sdf -rw-rw-r-- root/root 2966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iom_gng.sdf -rw-rw-r-- root/root 5744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ion_8h1.sdf -rw-rw-r-- root/root 5744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iop_8i1.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ip0_apc.sdf -rw-rw-r-- root/root 1985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ip0_hhr.sdf -rw-rw-r-- root/root 1858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ip8_b85.sdf -rw-rw-r-- root/root 4469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iph_g11.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ipk_pms.sdf -rw-rw-r-- root/root 6553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ipq_965.sdf -rw-rw-r-- root/root 4856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ips_o90.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ipt_equ.sdf -rw-rw-r-- root/root 5291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ipu_o40.sdf -rw-rw-r-- root/root 2684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ipx_b86.sdf -rw-rw-r-- root/root 4930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ipy_b87.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ipy_mlt.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iq3_pe4.sdf -rw-rw-r-- root/root 3062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iq7_5id.sdf -rw-rw-r-- root/root 9277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iqv_fsc.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ir6_gdp.sdf -rw-rw-r-- root/root 6700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ir7_md1.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3irm_1cy.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3irn_1cy.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3irn_ndp.sdf -rw-rw-r-- root/root 3770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iro_2cy.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iro_ndp.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3irx_udr.sdf -rw-rw-r-- root/root 5721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3is9_ac7.sdf -rw-rw-r-- root/root 2787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3isj_a8d.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3itu_ibm.sdf -rw-rw-r-- root/root 4279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3itz_p66.sdf -rw-rw-r-- root/root 5512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iu2_096.sdf -rw-rw-r-- root/root 2076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iu7_fcd.sdf -rw-rw-r-- root/root 2063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iu8_t03.sdf -rw-rw-r-- root/root 2252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iu9_t07.sdf -rw-rw-r-- root/root 3613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iub_fg2.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iue_fg3.sdf -rw-rw-r-- root/root 4161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ivc_fg4.sdf -rw-rw-r-- root/root 4338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ivg_fg5.sdf -rw-rw-r-- root/root 6451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ivh_1li.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ivx_fg6.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iw1_asd.sdf -rw-rw-r-- root/root 3608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iw2_eko.sdf -rw-rw-r-- root/root 5072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iw4_lw4.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iw6_bog.sdf -rw-rw-r-- root/root 5411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iw6_pp0.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iw7_bog.sdf -rw-rw-r-- root/root 4183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iw7_ipk.sdf -rw-rw-r-- root/root 4239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iw8_hiz.sdf -rw-rw-r-- root/root 5126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iwe_646.sdf -rw-rw-r-- root/root 2812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iwl_tce.sdf -rw-rw-r-- root/root 4795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iww_yze.sdf -rw-rw-r-- root/root 685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3iwx_cpt.sdf -rw-rw-r-- root/root 4294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ix3_ohn.sdf -rw-rw-r-- root/root 4125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ix4_tx1.sdf -rw-rw-r-- root/root 4160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ix8_tx3.sdf -rw-rw-r-- root/root 1687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ixl_pac.sdf -rw-rw-r-- root/root 4929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ixp_834.sdf -rw-rw-r-- root/root 4530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jpn_g2c.sdf -rw-rw-r-- root/root 4518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jpo_g1c.sdf -rw-rw-r-- root/root 4767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jpp_g1m.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jpq_gbr.sdf -rw-rw-r-- root/root 5028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jpr_g2m.sdf -rw-rw-r-- root/root 3038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jps_doc.sdf -rw-rw-r-- root/root 4779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jps_gfm.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jpt_gfc.sdf -rw-rw-r-- root/root 4172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jpu_ty4.sdf -rw-rw-r-- root/root 2647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jpv_1dr.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jrs_a8s.sdf -rw-rw-r-- root/root 1996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3js2_vm1.sdf -rw-rw-r-- root/root 3678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jsi_wtc.sdf -rw-rw-r-- root/root 2427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jsq_hne.sdf -rw-rw-r-- root/root 3948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jsu_ka5.sdf -rw-rw-r-- root/root 4635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jsw_jar.sdf -rw-rw-r-- root/root 3958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jsx_cc2.sdf -rw-rw-r-- root/root 3604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jtk_x55.sdf -rw-rw-r-- root/root 3605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jus_ecn.sdf -rw-rw-r-- root/root 1618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jut_gtq.sdf -rw-rw-r-- root/root 2516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jvh_hhv.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jvr_agx.sdf -rw-rw-r-- root/root 4767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jvs_agy.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jw8_mrd.sdf -rw-rw-r-- root/root 5708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jwq_via.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jwr_ibm.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jww_h4b.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jww_ji4.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jxu_adp.sdf -rw-rw-r-- root/root 3851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jxw_lxg.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jy0_lyg.sdf -rw-rw-r-- root/root 3816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jy9_jzh.sdf -rw-rw-r-- root/root 1936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jya_lwg.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jyj_jzi.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jyp_qic.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jyq_skm.sdf -rw-rw-r-- root/root 7830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jyr_acr.sdf -rw-rw-r-- root/root 2804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jzb_4hy.sdf -rw-rw-r-- root/root 4377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3jzk_yin.sdf -rw-rw-r-- root/root 5953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k0v_dxi.sdf -rw-rw-r-- root/root 2236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k14_535.sdf -rw-rw-r-- root/root 8444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k1o_poz.sdf -rw-rw-r-- root/root 6276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k1w_bfx.sdf -rw-rw-r-- root/root 1700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k1x_dbx.sdf -rw-rw-r-- root/root 5214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k22_jzs.sdf -rw-rw-r-- root/root 7603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k23_jzn.sdf -rw-rw-r-- root/root 2295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k2p_jth.sdf -rw-rw-r-- root/root 2683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k2x_i5a.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k37_bcz.sdf -rw-rw-r-- root/root 4035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k3b_l31.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k3e_pdb.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k3h_bye.sdf -rw-rw-r-- root/root 4630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k3j_f4c.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k3k_a8s.sdf -rw-rw-r-- root/root 1612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k3l_dbh.sdf -rw-rw-r-- root/root 2590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k3l_dbs.sdf -rw-rw-r-- root/root 5831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k3l_mck.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k45_51p.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k47_d09.sdf -rw-rw-r-- root/root 2675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k4f_q86.sdf -rw-rw-r-- root/root 3662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k4q_ihs.sdf -rw-rw-r-- root/root 3789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k4s_0mo.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k4y_ipe.sdf -rw-rw-r-- root/root 1915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k52_ip8.sdf -rw-rw-r-- root/root 2536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k56_is3.sdf -rw-rw-r-- root/root 3211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k5e_k5e.sdf -rw-rw-r-- root/root 6979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k5k_dxq.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k5u_pfq.sdf -rw-rw-r-- root/root 3719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k5v_stj.sdf -rw-rw-r-- root/root 4885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k6l_2bb.sdf -rw-rw-r-- root/root 3915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k6p_5fb.sdf -rw-rw-r-- root/root 3197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k8o_229.sdf -rw-rw-r-- root/root 2849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k8q_22a.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k8s_z27.sdf -rw-rw-r-- root/root 4252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k8x_b89.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k98_1rc.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k9f_lfx.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k9l_gnp.sdf -rw-rw-r-- root/root 5617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k9v_cps.sdf -rw-rw-r-- root/root 4509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k9w_4ps.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k9w_ade.sdf -rw-rw-r-- root/root 6785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3k9y_cm5.sdf -rw-rw-r-- root/root 3985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ka0_mk3.sdf -rw-rw-r-- root/root 4396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kaa_psf.sdf -rw-rw-r-- root/root 2059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kab_4bl.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kac_4bx.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kad_4c0.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kaf_4d9.sdf -rw-rw-r-- root/root 3510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kag_4d7.sdf -rw-rw-r-- root/root 4419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kah_4dh.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kai_4fi.sdf -rw-rw-r-- root/root 1462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kaz_bu2.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kb0_a8s.sdf -rw-rw-r-- root/root 5553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kb7_071.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kb9_btm.sdf -rw-rw-r-- root/root 4475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kba_wow.sdf -rw-rw-r-- root/root 2807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kbo_ndb.sdf -rw-rw-r-- root/root 2802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kbz_2t4.sdf -rw-rw-r-- root/root 2625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kc0_2t5.sdf -rw-rw-r-- root/root 2990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kc1_2t6.sdf -rw-rw-r-- root/root 3735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kc3_mk2.sdf -rw-rw-r-- root/root 2059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kce_4by.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kcf_jzo.sdf -rw-rw-r-- root/root 3474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kck_3kc.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kco_glo.sdf -rw-rw-r-- root/root 1735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kcx_cql.sdf -rw-rw-r-- root/root 1712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kcy_hqy.sdf -rw-rw-r-- root/root 1681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kcz_3ab.sdf -rw-rw-r-- root/root 5849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kds_nhx.sdf -rw-rw-r-- root/root 4761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kdt_7ha.sdf -rw-rw-r-- root/root 5670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kdu_nks.sdf -rw-rw-r-- root/root 3865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ke1_829.sdf -rw-rw-r-- root/root 2636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ke8_eip.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ke9_ipe.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kec_3ke.sdf -rw-rw-r-- root/root 1645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ked_dab.sdf -rw-rw-r-- root/root 1060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ked_mla.sdf -rw-rw-r-- root/root 8944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kee_30b.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kef_dma.sdf -rw-rw-r-- root/root 3214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3keg_mre.sdf -rw-rw-r-- root/root 4535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kej_3ej.sdf -rw-rw-r-- root/root 5376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kek_3ek.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3keu_plp.sdf -rw-rw-r-- root/root 4961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kf4_b90.sdf -rw-rw-r-- root/root 4336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kf7_l9g.sdf -rw-rw-r-- root/root 6057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kfa_b91.sdf -rw-rw-r-- root/root 4348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kfc_61x.sdf -rw-rw-r-- root/root 6123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kfj_yen.sdf -rw-rw-r-- root/root 2731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kfm_kai.sdf -rw-rw-r-- root/root 2934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kfx_mcy.sdf -rw-rw-r-- root/root 2898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kfy_jzm.sdf -rw-rw-r-- root/root 4895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kga_lx9.sdf -rw-rw-r-- root/root 1856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kgp_4az.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3khg_dgt.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3khh_dgt.sdf -rw-rw-r-- root/root 3038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3khh_doc.sdf -rw-rw-r-- root/root 3536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3khj_c64.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3khl_ttp.sdf -rw-rw-r-- root/root 1927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3khv_4al.sdf -rw-rw-r-- root/root 3425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ki0_g9d.sdf -rw-rw-r-- root/root 4653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ki1_g9f.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ki2_g9g.sdf -rw-rw-r-- root/root 3130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ki3_g9h.sdf -rw-rw-r-- root/root 3104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ki4_g9p.sdf -rw-rw-r-- root/root 5192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ki5_g9m.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ki6_g9l.sdf -rw-rw-r-- root/root 4926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ki7_g9i.sdf -rw-rw-r-- root/root 2325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kid_2bs.sdf -rw-rw-r-- root/root 1988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kiv_aca.sdf -rw-rw-r-- root/root 5763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kj7_ctr.sdf -rw-rw-r-- root/root 3123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kjd_78p.sdf -rw-rw-r-- root/root 5249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kjs_dq1.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kjs_nap.sdf -rw-rw-r-- root/root 3700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kk6_cel.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kki_dtt.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kki_plp.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kkm_gnp.sdf -rw-rw-r-- root/root 4263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kkt_0cp.sdf -rw-rw-r-- root/root 3603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kku_b95.sdf -rw-rw-r-- root/root 5500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kkv_b99.sdf -rw-rw-r-- root/root 5282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kl6_443.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3klp_b81.sdf -rw-rw-r-- root/root 4745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3km0_aom.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3km0_nap.sdf -rw-rw-r-- root/root 7215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3km4_22x.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3km8_9di.sdf -rw-rw-r-- root/root 3902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kmc_403.sdf -rw-rw-r-- root/root 4373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kme_z59.sdf -rw-rw-r-- root/root 6449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kmg_538.sdf -rw-rw-r-- root/root 5727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kmm_lhl.sdf -rw-rw-r-- root/root 2855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kmo_eaa.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kmo_gsh.sdf -rw-rw-r-- root/root 4629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kmr_eqn.sdf -rw-rw-r-- root/root 5029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kmz_eqo.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kn5_anp.sdf -rw-rw-r-- root/root 4732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ko0_tfp.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3koh_oio.sdf -rw-rw-r-- root/root 3949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3koo_24d.sdf -rw-rw-r-- root/root 3723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kox_z98.sdf -rw-rw-r-- root/root 3982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3koy_z97.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kpf_fad.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kpj_sah.sdf -rw-rw-r-- root/root 1714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kpu_es1.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kpu_sah.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kpv_ade.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kpv_sah.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kpw_1sq.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kpw_sah.sdf -rw-rw-r-- root/root 1632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kpy_es2.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kpy_sah.sdf -rw-rw-r-- root/root 6616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kpz_zne.sdf -rw-rw-r-- root/root 6009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqj_ud1.sdf -rw-rw-r-- root/root 900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqm_es3.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqm_sah.sdf -rw-rw-r-- root/root 1289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqo_es4.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqo_sah.sdf -rw-rw-r-- root/root 1797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqp_es5.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqp_sah.sdf -rw-rw-r-- root/root 1441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqq_es6.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqq_sah.sdf -rw-rw-r-- root/root 1480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqr_ope.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqs_ax7.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqs_sah.sdf -rw-rw-r-- root/root 1880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqt_es7.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqt_sah.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqv_fan.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqv_sah.sdf -rw-rw-r-- root/root 1455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqw_es9.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqw_sah.sdf -rw-rw-r-- root/root 1714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqy_es0.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kqy_sah.sdf -rw-rw-r-- root/root 1708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kr0_172.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kr0_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kr1_sah.sdf -rw-rw-r-- root/root 1632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kr1_vgd.sdf -rw-rw-r-- root/root 1632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kr2_et2.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kr2_sah.sdf -rw-rw-r-- root/root 4832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3krj_krj.sdf -rw-rw-r-- root/root 4786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3krk_acd.sdf -rw-rw-r-- root/root 5090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3krl_krl.sdf -rw-rw-r-- root/root 978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3krq_3tr.sdf -rw-rw-r-- root/root 5850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3krr_dqx.sdf -rw-rw-r-- root/root 6036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3krw_ba1.sdf -rw-rw-r-- root/root 5303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kry_3kr.sdf -rw-rw-r-- root/root 4144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ks9_z99.sdf -rw-rw-r-- root/root 4865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ksl_szh.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ksq_fpp.sdf -rw-rw-r-- root/root 6254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ksq_z96.sdf -rw-rw-r-- root/root 4512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ksw_vnf.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ksz_3pg.sdf -rw-rw-r-- root/root 3298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kt0_emn.sdf -rw-rw-r-- root/root 5589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kt3_tym.sdf -rw-rw-r-- root/root 2579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kt8_ltn.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ktq_dct.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ku9_fad.sdf -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ku9_spm.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kud_gdp.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kuh_apc.sdf -rw-rw-r-- root/root 2150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kuh_ph2.sdf -rw-rw-r-- root/root 786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kuw_fah.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kv2_nnh.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kv3_3pg.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kv4_oga.sdf -rw-rw-r-- root/root 786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kv8_fah.sdf -rw-rw-r-- root/root 786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kvi_fah.sdf -rw-rw-r-- root/root 3945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kvj_1x5.sdf -rw-rw-r-- root/root 2905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kvk_6x1.sdf -rw-rw-r-- root/root 3838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kvl_7z5.sdf -rw-rw-r-- root/root 3448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kvm_951.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kvs_bla.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kvu_aco.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kvv_r2b.sdf -rw-rw-r-- root/root 1173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kvv_urf.sdf -rw-rw-r-- root/root 3304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kvw_irb.sdf -rw-rw-r-- root/root 5870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kvx_fmy.sdf -rw-rw-r-- root/root 2094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kvz_env.sdf -rw-rw-r-- root/root 1928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kw1_enw.sdf -rw-rw-r-- root/root 6785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kw4_cm5.sdf -rw-rw-r-- root/root 2861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kw4_tic.sdf -rw-rw-r-- root/root 4976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kwf_b1q.sdf -rw-rw-r-- root/root 4893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kwj_23q.sdf -rw-rw-r-- root/root 1129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kwm_3gr.sdf -rw-rw-r-- root/root 7679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kwn_23z.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kwt_b3p.sdf -rw-rw-r-- root/root 3216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kwy_t9t.sdf -rw-rw-r-- root/root 4849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kx1_kx1.sdf -rw-rw-r-- root/root 5033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kx3_140.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kxg_k6x.sdf -rw-rw-r-- root/root 2722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kxh_k66.sdf -rw-rw-r-- root/root 2722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kxm_k74.sdf -rw-rw-r-- root/root 1479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kxn_k8x.sdf -rw-rw-r-- root/root 4218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kxo_kxo.sdf -rw-rw-r-- root/root 6252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kxz_925.sdf -rw-rw-r-- root/root 6659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kyt_hc2.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kz1_gsp.sdf -rw-rw-r-- root/root 2713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kzk_oln.sdf -rw-rw-r-- root/root 1148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kzm_cp.sdf -rw-rw-r-- root/root 2350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kzn_aor.sdf -rw-rw-r-- root/root 2174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kzo_an0.sdf -rw-rw-r-- root/root 1148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3kzo_cp.sdf -rw-rw-r-- root/root 1148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l02_cp.sdf -rw-rw-r-- root/root 2714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l02_sn0.sdf -rw-rw-r-- root/root 4925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l08_zig.sdf -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l0b_1pg.sdf -rw-rw-r-- root/root 5397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l0e_g58.sdf -rw-rw-r-- root/root 7481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l0f_cyc.sdf -rw-rw-r-- root/root 6656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l0j_hc9.sdf -rw-rw-r-- root/root 3589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l0k_6au.sdf -rw-rw-r-- root/root 6659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l0l_hc3.sdf -rw-rw-r-- root/root 3236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l0n_s5p.sdf -rw-rw-r-- root/root 2601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l0t_z94.sdf -rw-rw-r-- root/root 3239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l0v_724.sdf -rw-rw-r-- root/root 5719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l13_jzw.sdf -rw-rw-r-- root/root 5458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l16_jzx.sdf -rw-rw-r-- root/root 5647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l17_jzy.sdf -rw-rw-r-- root/root 7126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l1b_635.sdf -rw-rw-r-- root/root 2337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l1m_hqi.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l1r_fad.sdf -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l1r_spd.sdf -rw-rw-r-- root/root 3699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l1s_z92.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l2l_glc.sdf -rw-rw-r-- root/root 4936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l2u_elv.sdf -rw-rw-r-- root/root 4863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l2v_rlt.sdf -rw-rw-r-- root/root 4936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l2w_elv.sdf -rw-rw-r-- root/root 1480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l2y_ope.sdf -rw-rw-r-- root/root 3536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l30_dbw.sdf -rw-rw-r-- root/root 5026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l3a_625.sdf -rw-rw-r-- root/root 3300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l3l_l3l.sdf -rw-rw-r-- root/root 4041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l3m_a92.sdf -rw-rw-r-- root/root 6308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l3n_lsw.sdf -rw-rw-r-- root/root 3173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l3r_oag.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l4s_3pg.sdf -rw-rw-r-- root/root 3841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l4t_bj1.sdf -rw-rw-r-- root/root 4248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l4u_dsk.sdf -rw-rw-r-- root/root 4549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l4v_ktl.sdf -rw-rw-r-- root/root 2814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l4w_mig.sdf -rw-rw-r-- root/root 4549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l4x_nr3.sdf -rw-rw-r-- root/root 4549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l4y_nr4.sdf -rw-rw-r-- root/root 3488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l4z_ssd.sdf -rw-rw-r-- root/root 3556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l54_lxx.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l5p_428.sdf -rw-rw-r-- root/root 2822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l5r_47x.sdf -rw-rw-r-- root/root 3071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l5s_88x.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l5t_956.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l5u_zec.sdf -rw-rw-r-- root/root 2506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l7g_m44.sdf -rw-rw-r-- root/root 4652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l7k_c2g.sdf -rw-rw-r-- root/root 5670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l8p_0ce.sdf -rw-rw-r-- root/root 5113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l8s_bff.sdf -rw-rw-r-- root/root 4544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l8v_l8v.sdf -rw-rw-r-- root/root 1454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l8w_xan.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l8x_n4d.sdf -rw-rw-r-- root/root 2332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l91_oca.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l94_myr.sdf -rw-rw-r-- root/root 5885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l9h_emq.sdf -rw-rw-r-- root/root 4504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l9l_l9l.sdf -rw-rw-r-- root/root 4473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l9m_l9m.sdf -rw-rw-r-- root/root 4213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3l9n_l9n.sdf -rw-rw-r-- root/root 1605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3la3_2ft.sdf -rw-rw-r-- root/root 4668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lak_kr1.sdf -rw-rw-r-- root/root 3928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lal_krv.sdf -rw-rw-r-- root/root 4184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lam_krp.sdf -rw-rw-r-- root/root 4443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lan_kbt.sdf -rw-rw-r-- root/root 2187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lap_ggb.sdf -rw-rw-r-- root/root 3580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lau_ofi.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3law_gnp.sdf -rw-rw-r-- root/root 1547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lbg_8tx.sdf -rw-rw-r-- root/root 7432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lbj_ww8.sdf -rw-rw-r-- root/root 4548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lbk_k23.sdf -rw-rw-r-- root/root 5022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lbl_mi6.sdf -rw-rw-r-- root/root 3295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lbz_z89.sdf -rw-rw-r-- root/root 3663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lc3_iyx.sdf -rw-rw-r-- root/root 4021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lc4_lc4.sdf -rw-rw-r-- root/root 4701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lc5_izx.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lc8_pg4.sdf -rw-rw-r-- root/root 6005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lcd_bdy.sdf -rw-rw-r-- root/root 2175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lce_lce.sdf -rw-rw-r-- root/root 5210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lco_lc0.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lcs_stu.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lct_adp.sdf -rw-rw-r-- root/root 1679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ld4_8nx.sdf -rw-rw-r-- root/root 5829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ld6_kkk.sdf -rw-rw-r-- root/root 4786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ldq_3p1.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3le8_2b5.sdf -rw-rw-r-- root/root 3888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3le9_727.sdf -rw-rw-r-- root/root 4730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lea_z93.sdf -rw-rw-r-- root/root 4026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lee_b65.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3leo_gsh.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3leo_lmt.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3leo_plm.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lff_z83.sdf -rw-rw-r-- root/root 3109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lfm_3dt.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lfm_oga.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lfn_a27.sdf -rw-rw-r-- root/root 4986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lg4_52v.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lg5_btm.sdf -rw-rw-r-- root/root 3310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lgg_cfe.sdf -rw-rw-r-- root/root 2683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lgl_mly.sdf -rw-rw-r-- root/root 6142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lgp_50x.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lgs_sah.sdf -rw-rw-r-- root/root 4789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lhj_lhj.sdf -rw-rw-r-- root/root 3236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lht_bmq.sdf -rw-rw-r-- root/root 3236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lhv_bmq.sdf -rw-rw-r-- root/root 3236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lhw_bmq.sdf -rw-rw-r-- root/root 3236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lhz_bmq.sdf -rw-rw-r-- root/root 3236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3li0_bmq.sdf -rw-rw-r-- root/root 3236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3li1_bmq.sdf -rw-rw-r-- root/root 6427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lik_eeg.sdf -rw-rw-r-- root/root 6356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lil_eea.sdf -rw-rw-r-- root/root 4165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lim_lda.sdf -rw-rw-r-- root/root 9203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lin_e13.sdf -rw-rw-r-- root/root 8401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3liq_e14.sdf -rw-rw-r-- root/root 8661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lit_e15.sdf -rw-rw-r-- root/root 8921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3liv_e16.sdf -rw-rw-r-- root/root 6582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3liw_rup.sdf -rw-rw-r-- root/root 10527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lix_e17.sdf -rw-rw-r-- root/root 3824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lj1_dki.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lj2_iza.sdf -rw-rw-r-- root/root 4768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lj3_wye.sdf -rw-rw-r-- root/root 5781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ljg_eef.sdf -rw-rw-r-- root/root 5081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ljr_ggc.sdf -rw-rw-r-- root/root 5577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ljt_la3.sdf -rw-rw-r-- root/root 5577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ljz_la3.sdf -rw-rw-r-- root/root 3651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lk0_z80.sdf -rw-rw-r-- root/root 785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lk1_emc.sdf -rw-rw-r-- root/root 1520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lk1_jke.sdf -rw-rw-r-- root/root 2661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lk8_z79.sdf -rw-rw-r-- root/root 4601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lk9_tff.sdf -rw-rw-r-- root/root 1947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lka_m4s.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lkf_pc.sdf -rw-rw-r-- root/root 5310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lkh_lt6.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lkk_atp.sdf -rw-rw-r-- root/root 1915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lkk_ip8.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lkm_amp.sdf -rw-rw-r-- root/root 3102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ll4_2fp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ll5_adp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ll5_atp.sdf -rw-rw-r-- root/root 1915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ll5_ip8.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ll5_ipe.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lla_acp.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lld_up6.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3llf_up6.sdf -rw-rw-r-- root/root 4138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lm0_ebd.sdf -rw-rw-r-- root/root 3860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lm1_lec.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lm5_que.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lmh_adp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lmi_atp.sdf -rw-rw-r-- root/root 5421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lmp_cek.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lmx_dhb.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lmy_cp6.sdf -rw-rw-r-- root/root 2288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ln0_52b.sdf -rw-rw-r-- root/root 3700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ln1_cel.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lnl_b3p.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lnt_mli.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lo5_gdp.sdf -rw-rw-r-- root/root 2772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lp0_lp7.sdf -rw-rw-r-- root/root 2951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lp1_lp8.sdf -rw-rw-r-- root/root 3153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lp1_nvp.sdf -rw-rw-r-- root/root 4826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lp2_lp9.sdf -rw-rw-r-- root/root 4826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lp3_lp9.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lp7_har.sdf -rw-rw-r-- root/root 5132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lpb_nvb.sdf -rw-rw-r-- root/root 4910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lpf_z77.sdf -rw-rw-r-- root/root 4307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lpg_z78.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lpl_tdp.sdf -rw-rw-r-- root/root 4549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lpp_ktl.sdf -rw-rw-r-- root/root 3159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lpt_723.sdf -rw-rw-r-- root/root 3293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lpt_p03.sdf -rw-rw-r-- root/root 4106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lpu_976.sdf -rw-rw-r-- root/root 3293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lpu_p03.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lq2_tdp.sdf -rw-rw-r-- root/root 5527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lq5_slq.sdf -rw-rw-r-- root/root 7286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lq8_88z.sdf -rw-rw-r-- root/root 3589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lqs_psz.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lqu_5sp.sdf -rw-rw-r-- root/root 3433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ls8_ajz.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lse_lat.sdf -rw-rw-r-- root/root 2669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lsw_4mp.sdf -rw-rw-r-- root/root 3788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lt5_blq.sdf -rw-rw-r-- root/root 4552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ltn_pdq.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ltp_bmp.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lts_bmp.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lu6_imx.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lu7_ipx.sdf -rw-rw-r-- root/root 4063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lu8_iqx.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lud_amp.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lug_c5p.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3luh_5gp.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3luj_u5p.sdf -rw-rw-r-- root/root 3614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lvp_pdr.sdf -rw-rw-r-- root/root 3326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lvv_lbp.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lvw_gsh.sdf -rw-rw-r-- root/root 5741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lw0_ccx.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lwl_dds.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lwm_dds.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lwn_gdp.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lxa_gla.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lxe_tor.sdf -rw-rw-r-- root/root 3475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lxg_z73.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lxk_mi1.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lxl_iza.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lxn_mi1.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lxo_t3p.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lxp_iza.sdf -rw-rw-r-- root/root 1552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lxv_4nc.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ly2_z72.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lyi_ocs.sdf -rw-rw-r-- root/root 4321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lz6_a0d.sdf -rw-rw-r-- root/root 4650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lz9_fpf.sdf -rw-rw-r-- root/root 6602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3lzb_iti.sdf -rw-rw-r-- root/root 4651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m00_2cf.sdf -rw-rw-r-- root/root 4650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m01_fpf.sdf -rw-rw-r-- root/root 4651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m02_2cf.sdf -rw-rw-r-- root/root 5999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m08_rar.sdf -rw-rw-r-- root/root 5999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m09_rar.sdf -rw-rw-r-- root/root 4452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m0w_p77.sdf -rw-rw-r-- root/root 6144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m11_aki.sdf -rw-rw-r-- root/root 2634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m1o_cjz.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m1z_bmp.sdf -rw-rw-r-- root/root 4211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m2j_f5m.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m2n_j74.sdf -rw-rw-r-- root/root 4612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m2w_l8i.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m2x_bex.sdf -rw-rw-r-- root/root 5242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m35_m35.sdf -rw-rw-r-- root/root 3617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m3x_js7.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m3z_3f5.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m42_hgf.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m4j_pa9.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m4n_pa9.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m50_ebt.sdf -rw-rw-r-- root/root 4675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m51_yr1.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m53_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m54_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m55_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m56_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m57_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m58_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m59_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m5a_sah.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m5c_pa9.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m5d_pa9.sdf -rw-rw-r-- root/root 3332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m5e_jdr.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m5p_f6p.sdf -rw-rw-r-- root/root 3911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m67_e36.sdf -rw-rw-r-- root/root 5187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m6f_bjz.sdf -rw-rw-r-- root/root 10993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m6g_lo3.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m6q_bb2.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m6r_bb2.sdf -rw-rw-r-- root/root 6572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m7r_vdx.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m8c_equ.sdf -rw-rw-r-- root/root 3981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m8p_65b.sdf -rw-rw-r-- root/root 5813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m8q_djz.sdf -rw-rw-r-- root/root 4736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m8r_hxz.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m8s_hxb.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m96_e38.sdf -rw-rw-r-- root/root 3262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3m98_e02.sdf -rw-rw-r-- root/root 2857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ma3_01i.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3maa_tat.sdf -rw-rw-r-- root/root 1806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mag_3ma.sdf -rw-rw-r-- root/root 3499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3max_llx.sdf -rw-rw-r-- root/root 1489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mb3_mb3.sdf -rw-rw-r-- root/root 1489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mb4_mb3.sdf -rw-rw-r-- root/root 2857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mb6_01i.sdf -rw-rw-r-- root/root 2857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mb7_14i.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mbl_adp.sdf -rw-rw-r-- root/root 3849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mbl_lsg.sdf -rw-rw-r-- root/root 1528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mbm_717.sdf -rw-rw-r-- root/root 1245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mbm_cyt.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mby_8dg.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mct_3mc.sdf -rw-rw-r-- root/root 4561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mcy_zh1.sdf -rw-rw-r-- root/root 1249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mda_ppv.sdf -rw-rw-r-- root/root 4068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mdc_gtf.sdf -rw-rw-r-- root/root 5763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mdl_1ag.sdf -rw-rw-r-- root/root 3970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mdm_fjz.sdf -rw-rw-r-- root/root 1943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mdr_gjz.sdf -rw-rw-r-- root/root 3615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mdt_vor.sdf -rw-rw-r-- root/root 3888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mdv_cl6.sdf -rw-rw-r-- root/root 4889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mdy_ldn.sdf -rw-rw-r-- root/root 2417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mdz_ezl.sdf -rw-rw-r-- root/root 4854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3me3_3sz.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3me6_cge.sdf -rw-rw-r-- root/root 4223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mee_t27.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mek_sam.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mey_atp.sdf -rw-rw-r-- root/root 4042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mf1_g5a.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mf2_amp.sdf -rw-rw-r-- root/root 4646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mf5_hjz.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mfh_dtp.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mfi_dtp.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mfl_dhy.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mfs_anp.sdf -rw-rw-r-- root/root 2287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mfv_z70.sdf -rw-rw-r-- root/root 2034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mfw_b3u.sdf -rw-rw-r-- root/root 8426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mg2_ech.sdf -rw-rw-r-- root/root 8426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mg3_ech.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mgi_d3t.sdf -rw-rw-r-- root/root 2737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mhj_m3f.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mhl_j71.sdf -rw-rw-r-- root/root 4349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mhm_j75.sdf -rw-rw-r-- root/root 1527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mhw_abv.sdf -rw-rw-r-- root/root 3316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mi2_pfu.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mi5_caq.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mia_anp.sdf -rw-rw-r-- root/root 5074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3miy_b49.sdf -rw-rw-r-- root/root 5708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mj1_614.sdf -rw-rw-r-- root/root 7559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mj2_mjg.sdf -rw-rw-r-- root/root 5367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mj5_grm.sdf -rw-rw-r-- root/root 1064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mjl_2ai.sdf -rw-rw-r-- root/root 1610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mjm_dor.sdf -rw-rw-r-- root/root 1856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mjm_ncd.sdf -rw-rw-r-- root/root 3451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mjn_rnp.sdf -rw-rw-r-- root/root 2505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mjr_ac2.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mjw_wyf.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mjx_bit.sdf -rw-rw-r-- root/root 1458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mk1_npo.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mk6_aco.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mkd_adp.sdf -rw-rw-r-- root/root 3396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mke_cb4.sdf -rw-rw-r-- root/root 2924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mkn_dnb.sdf -rw-rw-r-- root/root 3030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mkp_sgn.sdf -rw-rw-r-- root/root 3720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mks_c1c.sdf -rw-rw-r-- root/root 3962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ml2_su0.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ml5_azm.sdf -rw-rw-r-- root/root 4647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ml8_ml8.sdf -rw-rw-r-- root/root 5272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ml9_ml9.sdf -rw-rw-r-- root/root 4700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mla_jjz.sdf -rw-rw-r-- root/root 5866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mlb_ljz.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mlm_myr.sdf -rw-rw-r-- root/root 4680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mmx_kjz.sdf -rw-rw-r-- root/root 3422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mna_dwh.sdf -rw-rw-r-- root/root 5149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mne_dex.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mng_d1d.sdf -rw-rw-r-- root/root 5149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mnp_dex.sdf -rw-rw-r-- root/root 4342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mnq_ad9.sdf -rw-rw-r-- root/root 2681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mnq_stl.sdf -rw-rw-r-- root/root 5979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mnr_sd1.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mo0_e11.sdf -rw-rw-r-- root/root 7778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mo2_e67.sdf -rw-rw-r-- root/root 8089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mo5_e72.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mof_gtp.sdf -rw-rw-r-- root/root 657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mof_oxl.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3moo_suc.sdf -rw-rw-r-- root/root 6827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3moo_vea.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mos_tpp.sdf -rw-rw-r-- root/root 8859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mow_b2b.sdf -rw-rw-r-- root/root 7210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mpe_n2a.sdf -rw-rw-r-- root/root 7197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mpf_n2d.sdf -rw-rw-r-- root/root 5107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mpm_5lk.sdf -rw-rw-r-- root/root 4144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mq4_z99.sdf -rw-rw-r-- root/root 3314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mqe_416.sdf -rw-rw-r-- root/root 3830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mqf_20x.sdf -rw-rw-r-- root/root 4330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mr3_dz4.sdf -rw-rw-r-- root/root 3736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mrt_12e.sdf -rw-rw-r-- root/root 3913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mrv_16f.sdf -rw-rw-r-- root/root 4173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mrx_17s.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mry_ade.sdf -rw-rw-r-- root/root 4080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ms2_18s.sdf -rw-rw-r-- root/root 1317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ms3_anl.sdf -rw-rw-r-- root/root 4110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ms4_21n.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ms5_oga.sdf -rw-rw-r-- root/root 2266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ms5_ree.sdf -rw-rw-r-- root/root 3831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ms7_22s.sdf -rw-rw-r-- root/root 1872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ms9_ms9.sdf -rw-rw-r-- root/root 1246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3msa_b3r.sdf -rw-rw-r-- root/root 4052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3msc_24s.sdf -rw-rw-r-- root/root 3729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mss_ms7.sdf -rw-rw-r-- root/root 6180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mss_sti.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3msx_gdp.sdf -rw-rw-r-- root/root 463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3msx_mgf.sdf -rw-rw-r-- root/root 3831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mt7_16o.sdf -rw-rw-r-- root/root 3831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mt8_17t.sdf -rw-rw-r-- root/root 4042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mt9_18o.sdf -rw-rw-r-- root/root 3831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mta_22o.sdf -rw-rw-r-- root/root 3831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mtb_23v.sdf -rw-rw-r-- root/root 3921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mtd_25e.sdf -rw-rw-r-- root/root 4214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mtf_a3f.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mth_mpb.sdf -rw-rw-r-- root/root 4240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mtl_fef.sdf -rw-rw-r-- root/root 4344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mu6_bxl.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3muf_s3p.sdf -rw-rw-r-- root/root 6832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mup_smk.sdf -rw-rw-r-- root/root 2852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mv5_xfe.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mv6_dhb.sdf -rw-rw-r-- root/root 4668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mvh_wfe.sdf -rw-rw-r-- root/root 2852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mvj_xfe.sdf -rw-rw-r-- root/root 5094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mvl_38p.sdf -rw-rw-r-- root/root 5033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mvm_39p.sdf -rw-rw-r-- root/root 6785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mvr_cm5.sdf -rw-rw-r-- root/root 4619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mvx_bhz.sdf -rw-rw-r-- root/root 4713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mvz_bhn.sdf -rw-rw-r-- root/root 4843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mw1_mih.sdf -rw-rw-r-- root/root 2185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mwi_b25.sdf -rw-rw-r-- root/root 1833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mxg_xls.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3my1_rfz.sdf -rw-rw-r-- root/root 1799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3my6_my6.sdf -rw-rw-r-- root/root 5082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3myg_eml.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3myh_adp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3myk_anp.sdf -rw-rw-r-- root/root 3828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3myq_e27.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3myt_equ.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mz4_b3n.sdf -rw-rw-r-- root/root 4806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mzb_bhr.sdf -rw-rw-r-- root/root 6656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3mzs_hc9.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n0g_dst.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n0h_top.sdf -rw-rw-r-- root/root 3099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n0n_p9b.sdf -rw-rw-r-- root/root 2878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n0t_opy.sdf -rw-rw-r-- root/root 2247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n1v_3n1.sdf -rw-rw-r-- root/root 1988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n1w_3n2.sdf -rw-rw-r-- root/root 4473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n2e_osa.sdf -rw-rw-r-- root/root 3269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n2p_ayx.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n2r_h4b.sdf -rw-rw-r-- root/root 4572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n2r_xjh.sdf -rw-rw-r-- root/root 5148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n2u_d3x.sdf -rw-rw-r-- root/root 3838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n2v_jt5.sdf -rw-rw-r-- root/root 2595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n2y_tef.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n31_fca.sdf -rw-rw-r-- root/root 2116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n33_aes.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n36_gla.sdf -rw-rw-r-- root/root 3403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n3g_935.sdf -rw-rw-r-- root/root 2331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n3l_ms0.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n3x_gun.sdf -rw-rw-r-- root/root 3417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n45_3n3.sdf -rw-rw-r-- root/root 2417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n45_zol.sdf -rw-rw-r-- root/root 3417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n46_3n5.sdf -rw-rw-r-- root/root 2531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n49_3n4.sdf -rw-rw-r-- root/root 1878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n59_3ds.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5c_gdp.sdf -rw-rw-r-- root/root 2364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5h_go0.sdf -rw-rw-r-- root/root 2364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5j_go1.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5p_h4b.sdf -rw-rw-r-- root/root 4622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5p_xfm.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5q_h4b.sdf -rw-rw-r-- root/root 4891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5q_xfn.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5r_h4b.sdf -rw-rw-r-- root/root 4714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5r_xfh.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5s_h4b.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5s_xfk.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5t_h4b.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5t_xfj.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5v_h4b.sdf -rw-rw-r-- root/root 4714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5v_xfh.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5y_h4b.sdf -rw-rw-r-- root/root 4625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5y_xfl.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5z_h4b.sdf -rw-rw-r-- root/root 4622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n5z_xfm.sdf -rw-rw-r-- root/root 2894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n6k_bfh.sdf -rw-rw-r-- root/root 3979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n76_ca2.sdf -rw-rw-r-- root/root 2032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n7a_fa1.sdf -rw-rw-r-- root/root 3988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n7o_n7o.sdf -rw-rw-r-- root/root 6129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n7r_n7r.sdf -rw-rw-r-- root/root 9120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n7s_3n6.sdf -rw-rw-r-- root/root 4065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n7s_3n7.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n82_nad.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n83_adp.sdf -rw-rw-r-- root/root 3672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n86_rjp.sdf -rw-rw-r-- root/root 4041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n87_n87.sdf -rw-rw-r-- root/root 1535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n8k_d1x.sdf -rw-rw-r-- root/root 3437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n8n_n88.sdf -rw-rw-r-- root/root 2855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n8w_flp.sdf -rw-rw-r-- root/root 3078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n8x_nim.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n8y_dif.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n8y_sal.sdf -rw-rw-r-- root/root 2855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n9j_eaa.sdf -rw-rw-r-- root/root 2645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n9r_td3.sdf -rw-rw-r-- root/root 3104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n9s_td4.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n9y_clr.sdf -rw-rw-r-- root/root 6656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3n9z_hc9.sdf -rw-rw-r-- root/root 6751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3na0_2dc.sdf -rw-rw-r-- root/root 6658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3na1_hcd.sdf -rw-rw-r-- root/root 8548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nal_dbk.sdf -rw-rw-r-- root/root 6634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nam_otk.sdf -rw-rw-r-- root/root 11403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nam_pty.sdf -rw-rw-r-- root/root 12796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nan_hz1.sdf -rw-rw-r-- root/root 11403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nan_pty.sdf -rw-rw-r-- root/root 5536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nay_mp6.sdf -rw-rw-r-- root/root 3765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nb5_r21.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nb8_bla.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nba_apc.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nbc_lat.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nbd_lbt.sdf -rw-rw-r-- root/root 5894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nbe_dld.sdf -rw-rw-r-- root/root 4051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nbk_pns.sdf -rw-rw-r-- root/root 5470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nbp_jgz.sdf -rw-rw-r-- root/root 1173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nbq_urf.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nbv_anp.sdf -rw-rw-r-- root/root 2433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nbw_tr4.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nbz_gtp.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nc2_quz.sdf -rw-rw-r-- root/root 3921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nc4_26o.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nc6_piw.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nc7_piy.sdf -rw-rw-r-- root/root 4389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nc9_tr3.sdf -rw-rw-r-- root/root 1454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nca_tr2.sdf -rw-rw-r-- root/root 3666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ncz_3nc.sdf -rw-rw-r-- root/root 1999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nd7_pny.sdf -rw-rw-r-- root/root 4067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ndm_3nd.sdf -rw-rw-r-- root/root 3929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ndv_aic.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nef_pyv.sdf -rw-rw-r-- root/root 4736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3neo_g24.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nf6_imv.sdf -rw-rw-r-- root/root 3369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nf7_ciw.sdf -rw-rw-r-- root/root 3629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nf8_cdq.sdf -rw-rw-r-- root/root 3369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nf9_cd9.sdf -rw-rw-r-- root/root 3557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nfa_cbj.sdf -rw-rw-r-- root/root 4173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nfb_oae.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nfm_fru.sdf -rw-rw-r-- root/root 2933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nfr_ewq.sdf -rw-rw-r-- root/root 3681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ngd_6og.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ngd_dcp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ngn_amp.sdf -rw-rw-r-- root/root 2235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ngq_1ps.sdf -rw-rw-r-- root/root 3027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nhf_vvv.sdf -rw-rw-r-- root/root 2517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nhj_a2z.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nhk_vap.sdf -rw-rw-r-- root/root 2933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nhl_ytr.sdf -rw-rw-r-- root/root 3027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nhp_hgz.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nhr_rzw.sdf -rw-rw-r-- root/root 2260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nhu_m42.sdf -rw-rw-r-- root/root 2225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nhw_zxz.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nhx_asd.sdf -rw-rw-r-- root/root 2319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nhy_a7b.sdf -rw-rw-r-- root/root 3033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nif_nif.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nj1_pyv.sdf -rw-rw-r-- root/root 2809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nj4_afx.sdf -rw-rw-r-- root/root 3233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3njo_p2m.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3njo_pyv.sdf -rw-rw-r-- root/root 5448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3njq_njq.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nju_ann.sdf -rw-rw-r-- root/root 1997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3njy_8xq.sdf -rw-rw-r-- root/root 1800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nkm_nkp.sdf -rw-rw-r-- root/root 5329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nkn_nkn.sdf -rw-rw-r-- root/root 5849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nko_nko.sdf -rw-rw-r-- root/root 1800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nkp_nkp.sdf -rw-rw-r-- root/root 5871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nkq_nkq.sdf -rw-rw-r-- root/root 6413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nkr_nkr.sdf -rw-rw-r-- root/root 5072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nlb_5be.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nld_h4b.sdf -rw-rw-r-- root/root 5051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nld_jss.sdf -rw-rw-r-- root/root 5475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nlt_3xf.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nlt_h4b.sdf -rw-rw-r-- root/root 5071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nlu_3xb.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nlu_h4b.sdf -rw-rw-r-- root/root 5071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nlv_3xa.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nlv_h4b.sdf -rw-rw-r-- root/root 5475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nlw_3xf.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nlw_h4b.sdf -rw-rw-r-- root/root 5071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nly_3xc.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nly_h4b.sdf -rw-rw-r-- root/root 5060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nlz_3xd.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nlz_h4b.sdf -rw-rw-r-- root/root 5392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nm0_3xe.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nm0_h4b.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nm5_fmc.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nm6_ade.sdf -rw-rw-r-- root/root 2717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nmi_pxx.sdf -rw-rw-r-- root/root 2717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nmk_pxx.sdf -rw-rw-r-- root/root 4811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nmq_7pp.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nmt_pyv.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nmv_pyv.sdf -rw-rw-r-- root/root 788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nn7_bxa.sdf -rw-rw-r-- root/root 2124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nnt_dqa.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nnu_edb.sdf -rw-rw-r-- root/root 5188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nnv_437.sdf -rw-rw-r-- root/root 4791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nny_59r.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nny_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nod_h4b.sdf -rw-rw-r-- root/root 2268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nod_sci.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nox_6a5.sdf -rw-rw-r-- root/root 6865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3npc_b96.sdf -rw-rw-r-- root/root 8069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3npr_ps7.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nq3_dka.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nq6_up6.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nq8_ben.sdf -rw-rw-r-- root/root 2332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nq9_oca.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nqe_bmp.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nqf_bmp.sdf -rw-rw-r-- root/root 3619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nqs_at2.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nqv_ben.sdf -rw-rw-r-- root/root 3458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nr9_nr9.sdf -rw-rw-r-- root/root 6702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nri_dh7.sdf -rw-rw-r-- root/root 2994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nrm_nrm.sdf -rw-rw-r-- root/root 1361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nrz_hpa.sdf -rw-rw-r-- root/root 528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nrz_mos.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nrz_mte.sdf -rw-rw-r-- root/root 528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ns1_mos.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ns1_mte.sdf -rw-rw-r-- root/root 1361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ns1_pm6.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ns2_pyv.sdf -rw-rw-r-- root/root 4974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ns9_ns9.sdf -rw-rw-r-- root/root 2505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nsg_tam.sdf -rw-rw-r-- root/root 2466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nsq_chz.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nt1_bog.sdf -rw-rw-r-- root/root 2849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nt1_nps.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nt4_ins.sdf -rw-rw-r-- root/root 2032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nt5_ise.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ntb_bog.sdf -rw-rw-r-- root/root 2857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ntb_t1n.sdf -rw-rw-r-- root/root 539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nte_i3m.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ntg_d72.sdf -rw-rw-r-- root/root 5236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ntp_pe8.sdf -rw-rw-r-- root/root 5416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ntp_rzd.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ntr_ins.sdf -rw-rw-r-- root/root 2436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nty_5p3.sdf -rw-rw-r-- root/root 5141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ntz_3tz.sdf -rw-rw-r-- root/root 5248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nu0_3tu.sdf -rw-rw-r-- root/root 2531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nun_jmz.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nup_3nu.sdf -rw-rw-r-- root/root 1611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nus_jnz.sdf -rw-rw-r-- root/root 1871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nuu_joz.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nuv_asd.sdf -rw-rw-r-- root/root 4649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nux_3nv.sdf -rw-rw-r-- root/root 1622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nuy_jpz.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nvd_oan.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nvs_s3p.sdf -rw-rw-r-- root/root 528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nvv_mos.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nvv_mte.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nvw_gun.sdf -rw-rw-r-- root/root 528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nvw_mos.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nvw_mte.sdf -rw-rw-r-- root/root 528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nvy_mos.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nvy_mte.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nvy_que.sdf -rw-rw-r-- root/root 1702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nvz_i3a.sdf -rw-rw-r-- root/root 528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nvz_mos.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nvz_mte.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nw2_h4b.sdf -rw-rw-r-- root/root 3043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nw2_mpw.sdf -rw-rw-r-- root/root 4891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nw5_lgx.sdf -rw-rw-r-- root/root 4891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nw6_lgw.sdf -rw-rw-r-- root/root 4264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nw7_lgv.sdf -rw-rw-r-- root/root 5693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nw9_637.sdf -rw-rw-r-- root/root 5787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nwb_659.sdf -rw-rw-r-- root/root 6556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nwe_662.sdf -rw-rw-r-- root/root 6121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nww_3nw.sdf -rw-rw-r-- root/root 3274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nx7_nhk.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nx9_mal.sdf -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nxo_d2b.sdf -rw-rw-r-- root/root 5845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nxq_rx4.sdf -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nxr_d2d.sdf -rw-rw-r-- root/root 3869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nxt_d2e.sdf -rw-rw-r-- root/root 8802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nxu_rit.sdf -rw-rw-r-- root/root 4282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nxv_d2f.sdf -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nxx_d2d.sdf -rw-rw-r-- root/root 4282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nxy_d2h.sdf -rw-rw-r-- root/root 4525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ny4_smx.sdf -rw-rw-r-- root/root 3222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ny6_v30.sdf -rw-rw-r-- root/root 4680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ny7_sxm.sdf -rw-rw-r-- root/root 4209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ny8_jrz.sdf -rw-rw-r-- root/root 4416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ny9_jsz.sdf -rw-rw-r-- root/root 3676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nya_jtz.sdf -rw-rw-r-- root/root 1578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nyd_3ny.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nyn_sgv.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nyo_amp.sdf -rw-rw-r-- root/root 3203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nyx_tz1.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nz0_iza.sdf -rw-rw-r-- root/root 1578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nz1_3ny.sdf -rw-rw-r-- root/root 5261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nz6_d2j.sdf -rw-rw-r-- root/root 5261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nz9_d2k.sdf -rw-rw-r-- root/root 5781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nzb_d2n.sdf -rw-rw-r-- root/root 5108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nzc_d2o.sdf -rw-rw-r-- root/root 5355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nzk_c90.sdf -rw-rw-r-- root/root 4302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nzs_nzs.sdf -rw-rw-r-- root/root 4229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3nzu_nzu.sdf -rw-rw-r-- root/root 6064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o01_dxc.sdf -rw-rw-r-- root/root 6066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o02_jn3.sdf -rw-rw-r-- root/root 3401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o0g_3o0.sdf -rw-rw-r-- root/root 2824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o0j_3oj.sdf -rw-rw-r-- root/root 4111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o0u_o47.sdf -rw-rw-r-- root/root 2401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o15_3nm.sdf -rw-rw-r-- root/root 1544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o15_ifp.sdf -rw-rw-r-- root/root 7597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o1d_g72.sdf -rw-rw-r-- root/root 7597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o1e_h97.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o1x_adn.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o22_ola.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o22_plm.sdf -rw-rw-r-- root/root 4450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o23_mqy.sdf -rw-rw-r-- root/root 3936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o2f_p54.sdf -rw-rw-r-- root/root 2351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o2g_nm2.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o2g_oga.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o2k_qrp.sdf -rw-rw-r-- root/root 5267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o2m_46a.sdf -rw-rw-r-- root/root 2673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o2n_mzx.sdf -rw-rw-r-- root/root 6715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o2x_3o2.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o2y_ola.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o2y_plm.sdf -rw-rw-r-- root/root 1349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o32_35c.sdf -rw-rw-r-- root/root 1377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o35_aly.sdf -rw-rw-r-- root/root 2246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o3j_bb4.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o4m_caq.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o4v_4ct.sdf -rw-rw-r-- root/root 4618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o50_lje.sdf -rw-rw-r-- root/root 5433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o51_ljf.sdf -rw-rw-r-- root/root 6536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o57_zg2.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o5l_1pe.sdf -rw-rw-r-- root/root 11192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o5r_fk5.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o5s_b3p.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o5u_dhb.sdf -rw-rw-r-- root/root 6320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o5x_jzg.sdf -rw-rw-r-- root/root 6178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o64_786.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o6j_hqn.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o6o_1pe.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o6o_94m.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o6r_pyg.sdf -rw-rw-r-- root/root 4941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o73_o73.sdf -rw-rw-r-- root/root 4750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o76_gtb.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o7u_o7u.sdf -rw-rw-r-- root/root 3714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o8a_o8a.sdf -rw-rw-r-- root/root 3364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o8g_o8g.sdf -rw-rw-r-- root/root 5348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o8h_o8h.sdf -rw-rw-r-- root/root 2269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o8i_m1t.sdf -rw-rw-r-- root/root 5022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o95_01t.sdf -rw-rw-r-- root/root 6523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o96_iqo.sdf -rw-rw-r-- root/root 2056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o97_iac.sdf -rw-rw-r-- root/root 7019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o99_k13.sdf -rw-rw-r-- root/root 7195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9a_k14.sdf -rw-rw-r-- root/root 7195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9b_k2a.sdf -rw-rw-r-- root/root 7135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9c_k20.sdf -rw-rw-r-- root/root 7052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9d_k19.sdf -rw-rw-r-- root/root 7279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9e_a60.sdf -rw-rw-r-- root/root 7455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9f_k2d.sdf -rw-rw-r-- root/root 7454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9g_f53.sdf -rw-rw-r-- root/root 7395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9h_k2e.sdf -rw-rw-r-- root/root 7312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9i_a61.sdf -rw-rw-r-- root/root 3989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9j_rp6.sdf -rw-rw-r-- root/root 5158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9k_ett.sdf -rw-rw-r-- root/root 7671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9l_lpn.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9m_bez.sdf -rw-rw-r-- root/root 4748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9p_mhi.sdf -rw-rw-r-- root/root 4243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3o9v_10t.sdf -rw-rw-r-- root/root 7422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oad_lpo.sdf -rw-rw-r-- root/root 3173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oaf_oag.sdf -rw-rw-r-- root/root 7518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oag_lpq.sdf -rw-rw-r-- root/root 3320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oaw_oaw.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oax_htg.sdf -rw-rw-r-- root/root 3053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oax_id3.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ob7_gsh.sdf -rw-rw-r-- root/root 4741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oc0_b2q.sdf -rw-rw-r-- root/root 4655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ocb_xm1.sdf -rw-rw-r-- root/root 3483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3occ_dih.sdf -rw-rw-r-- root/root 4430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ocg_ocg.sdf -rw-rw-r-- root/root 12326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3och_2mx.sdf -rw-rw-r-- root/root 7244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ocs_746.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oct_1n1.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ocu_nmn.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ocv_amp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ocw_3am.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ocx_2am.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ocz_sra.sdf -rw-rw-r-- root/root 1997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3od4_8xq.sdf -rw-rw-r-- root/root 1987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3odk_odk.sdf -rw-rw-r-- root/root 5471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3odu_itd.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3odu_ola.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3odu_olc.sdf -rw-rw-r-- root/root 5025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oe1_tdl.sdf -rw-rw-r-- root/root 4738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oe4_610.sdf -rw-rw-r-- root/root 4620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oe5_611.sdf -rw-rw-r-- root/root 5471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oe8_itd.sdf -rw-rw-r-- root/root 1751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oel_dgl.sdf -rw-rw-r-- root/root 1751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oem_oem.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oey_nad.sdf -rw-rw-r-- root/root 6180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oez_sti.sdf -rw-rw-r-- root/root 3483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3of3_dih.sdf -rw-rw-r-- root/root 2282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ofm_4b0.sdf -rw-rw-r-- root/root 6759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ogp_017.sdf -rw-rw-r-- root/root 8415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ogq_ab1.sdf -rw-rw-r-- root/root 6440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ogt_fmv.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ogw_imn.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oha_dcp.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ohb_dcp.sdf -rw-rw-r-- root/root 3757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ohl_ohl.sdf -rw-rw-r-- root/root 2661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oho_z79.sdf -rw-rw-r-- root/root 1130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ohs_2ha.sdf -rw-rw-r-- root/root 3466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oi7_oi7.sdf -rw-rw-r-- root/root 6326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oia_a31.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oid_tcl.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oif_tcl.sdf -rw-rw-r-- root/root 4843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oig_imj.sdf -rw-rw-r-- root/root 4962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oil_vz5.sdf -rw-rw-r-- root/root 4843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ojf_imj.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oji_pyv.sdf -rw-rw-r-- root/root 11783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ojs_xjs.sdf -rw-rw-r-- root/root 6183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oju_ssj.sdf -rw-rw-r-- root/root 6074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3okh_okh.sdf -rw-rw-r-- root/root 5792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oki_oki.sdf -rw-rw-r-- root/root 4810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oku_vz4.sdf -rw-rw-r-- root/root 7530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ol5_saw.sdf -rw-rw-r-- root/root 5858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3olf_olf.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oll_est.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ols_est.sdf -rw-rw-r-- root/root 4786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3olt_acd.sdf -rw-rw-r-- root/root 5763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3olu_1ag.sdf -rw-rw-r-- root/root 2872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3omc_2mr.sdf -rw-rw-r-- root/root 5576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3omk_omk.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3omm_omm.sdf -rw-rw-r-- root/root 2525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3omo_wv7.sdf -rw-rw-r-- root/root 2525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3omp_w14.sdf -rw-rw-r-- root/root 2619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3omq_w23.sdf -rw-rw-r-- root/root 5097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3omu_ibd.sdf -rw-rw-r-- root/root 5214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oni_jq1.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3onw_gdp.sdf -rw-rw-r-- root/root 4713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oob_kdh.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oob_pe4.sdf -rw-rw-r-- root/root 3079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ood_epl.sdf -rw-rw-r-- root/root 5598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oof_oof.sdf -rw-rw-r-- root/root 5620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ook_ook.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oom_507.sdf -rw-rw-r-- root/root 5651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oot_ssr.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ooy_tdp.sdf -rw-rw-r-- root/root 3886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3op5_reb.sdf -rw-rw-r-- root/root 4810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3opm_lui.sdf -rw-rw-r-- root/root 3873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oq1_3oq.sdf -rw-rw-r-- root/root 6555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oq6_naj.sdf -rw-rw-r-- root/root 1545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oq6_pfb.sdf -rw-rw-r-- root/root 5027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oqf_s51.sdf -rw-rw-r-- root/root 3073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oqj_3cx.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oqk_s52.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oqu_a8s.sdf -rw-rw-r-- root/root 1494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oqv_dtd.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ori_ags.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3orl_ags.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3orm_ags.sdf -rw-rw-r-- root/root 4688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3orn_3or.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3orn_anp.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oro_ags.sdf -rw-rw-r-- root/root 5402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3orz_bi4.sdf -rw-rw-r-- root/root 4498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3os3_3os.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3os3_atp.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3os5_sah.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3os8_kn0.sdf -rw-rw-r-- root/root 3965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3osa_kn3.sdf -rw-rw-r-- root/root 3981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3osh_oin.sdf -rw-rw-r-- root/root 3681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3osn_6og.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3osn_ttp.sdf -rw-rw-r-- root/root 4040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ot3_22k.sdf -rw-rw-r-- root/root 4594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ot8_mi5.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3otq_mzl.sdf -rw-rw-r-- root/root 2379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ouh_014.sdf -rw-rw-r-- root/root 2366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oui_42z.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ov4_equ.sdf -rw-rw-r-- root/root 3377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ovm_mzc.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ovq_5rp.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ovr_5sp.sdf -rw-rw-r-- root/root 3548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ovv_1sb.sdf -rw-rw-r-- root/root 1462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ovv_bud.sdf -rw-rw-r-- root/root 4324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ovz_o96.sdf -rw-rw-r-- root/root 5107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ow3_smy.sdf -rw-rw-r-- root/root 5107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ow4_smy.sdf -rw-rw-r-- root/root 4818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3owd_mey.sdf -rw-rw-r-- root/root 3386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3owh_52x.sdf -rw-rw-r-- root/root 3251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3owj_1el.sdf -rw-rw-r-- root/root 2909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3owk_18e.sdf -rw-rw-r-- root/root 2909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3owl_19e.sdf -rw-rw-r-- root/root 8706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3own_3ox.sdf -rw-rw-r-- root/root 3288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3owp_2sb.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ows_equ.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3owu_equ.sdf -rw-rw-r-- root/root 4484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3owx_xra.sdf -rw-rw-r-- root/root 3552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ox1_695.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ox2_79x.sdf -rw-rw-r-- root/root 4250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ox3_4x4.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oxf_sah.sdf -rw-rw-r-- root/root 2689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oxi_syy.sdf -rw-rw-r-- root/root 3489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oxt_3sb.sdf -rw-rw-r-- root/root 6026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oxz_0li.sdf -rw-rw-r-- root/root 6003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oy1_589.sdf -rw-rw-r-- root/root 6530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oy3_xy3.sdf -rw-rw-r-- root/root 4863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oya_rlt.sdf -rw-rw-r-- root/root 4877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oyb_zzx.sdf -rw-rw-r-- root/root 3637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oyc_zzw.sdf -rw-rw-r-- root/root 4345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oyd_zzv.sdf -rw-rw-r-- root/root 5475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oye_zyy.sdf -rw-rw-r-- root/root 4522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oyf_zyp.sdf -rw-rw-r-- root/root 5510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oyg_zyo.sdf -rw-rw-r-- root/root 4842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oyh_zyn.sdf -rw-rw-r-- root/root 4877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oyj_zzx.sdf -rw-rw-r-- root/root 4877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oyl_zzx.sdf -rw-rw-r-- root/root 4877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oyn_zzx.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oyw_tdg.sdf -rw-rw-r-- root/root 5044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oz0_3oz.sdf -rw-rw-r-- root/root 8261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3oz1_bmb.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ozc_4ct.sdf -rw-rw-r-- root/root 1361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ozf_hpa.sdf -rw-rw-r-- root/root 3472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ozg_ssi.sdf -rw-rw-r-- root/root 3838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ozj_bgv.sdf -rw-rw-r-- root/root 3700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ozr_ozr.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ozs_ozs.sdf -rw-rw-r-- root/root 4620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ozt_ozz.sdf -rw-rw-r-- root/root 3620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ozu_x89.sdf -rw-rw-r-- root/root 10031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ozv_dgg.sdf -rw-rw-r-- root/root 3605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ozv_ecn.sdf -rw-rw-r-- root/root 10031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ozw_dgg.sdf -rw-rw-r-- root/root 5829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ozw_kkk.sdf -rw-rw-r-- root/root 3306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p0f_bau.sdf -rw-rw-r-- root/root 4808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p0g_p0g.sdf -rw-rw-r-- root/root 1359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p0m_4sb.sdf -rw-rw-r-- root/root 3498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p0p_nnf.sdf -rw-rw-r-- root/root 3154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p0q_nnl.sdf -rw-rw-r-- root/root 2768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p0z_ctn.sdf -rw-rw-r-- root/root 1887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p0z_msr.sdf -rw-rw-r-- root/root 2768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p10_ctn.sdf -rw-rw-r-- root/root 1377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p1c_aly.sdf -rw-rw-r-- root/root 1489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p1d_mb3.sdf -rw-rw-r-- root/root 2058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p1f_3pf.sdf -rw-rw-r-- root/root 9277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p1o_fsc.sdf -rw-rw-r-- root/root 9277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p1q_fsc.sdf -rw-rw-r-- root/root 9277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p1s_fsc.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p23_adp.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p2b_p2b.sdf -rw-rw-r-- root/root 786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p2r_fah.sdf -rw-rw-r-- root/root 3416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p2v_doy.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p3c_3p3.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p3g_3p3.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p3i_coa.sdf -rw-rw-r-- root/root 786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p3i_fah.sdf -rw-rw-r-- root/root 2669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p3r_3m1.sdf -rw-rw-r-- root/root 2540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p3s_3m2.sdf -rw-rw-r-- root/root 3202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p3t_3m3.sdf -rw-rw-r-- root/root 3071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p3u_3m4.sdf -rw-rw-r-- root/root 1179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p4w_dsf.sdf -rw-rw-r-- root/root 9416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p4w_plc.sdf -rw-rw-r-- root/root 2793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p50_pfl.sdf -rw-rw-r-- root/root 9416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p50_plc.sdf -rw-rw-r-- root/root 5459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p5k_p5k.sdf -rw-rw-r-- root/root 5896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p5p_a3c.sdf -rw-rw-r-- root/root 5798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p5r_fgg.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p6d_zgb.sdf -rw-rw-r-- root/root 2292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p6e_zgc.sdf -rw-rw-r-- root/root 2210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p6f_fbz.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p6g_izp.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p6h_ibp.sdf -rw-rw-r-- root/root 7436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p6n_dso.sdf -rw-rw-r-- root/root 7104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p6o_etg.sdf -rw-rw-r-- root/root 7071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p6p_a6b.sdf -rw-rw-r-- root/root 7696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p6t_sbf.sdf -rw-rw-r-- root/root 3078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p6x_c3q.sdf -rw-rw-r-- root/root 5258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p76_p76.sdf -rw-rw-r-- root/root 5456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p78_p78.sdf -rw-rw-r-- root/root 5719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p79_p79.sdf -rw-rw-r-- root/root 5264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p7a_p7a.sdf -rw-rw-r-- root/root 5542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p7b_p7b.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p7h_mal.sdf -rw-rw-r-- root/root 5923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p88_p88.sdf -rw-rw-r-- root/root 5433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p89_89p.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p8g_ben.sdf -rw-rw-r-- root/root 3644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p8h_p8h.sdf -rw-rw-r-- root/root 9568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p8n_l4t.sdf -rw-rw-r-- root/root 9556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p8o_l5t.sdf -rw-rw-r-- root/root 3216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p8p_ln6.sdf -rw-rw-r-- root/root 6570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p8x_zyd.sdf -rw-rw-r-- root/root 2281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p93_cs2.sdf -rw-rw-r-- root/root 2023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p93_kdg.sdf -rw-rw-r-- root/root 3615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3p9j_p9j.sdf -rw-rw-r-- root/root 4062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pa3_c70.sdf -rw-rw-r-- root/root 4145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pa4_c72.sdf -rw-rw-r-- root/root 4038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pa5_c73.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pa9_pj7.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pa9_pmp.sdf -rw-rw-r-- root/root 2374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pah_xde.sdf -rw-rw-r-- root/root 1361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pan_hpa.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pao_ade.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3paq_mma.sdf -rw-rw-r-- root/root 1851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pax_3mb.sdf -rw-rw-r-- root/root 2497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pb5_f63.sdf -rw-rw-r-- root/root 3827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pb7_pbd.sdf -rw-rw-r-- root/root 2024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pb8_ahn.sdf -rw-rw-r-- root/root 2047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pb9_1bn.sdf -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pba_zxg.sdf -rw-rw-r-- root/root 3827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pbb_pbd.sdf -rw-rw-r-- root/root 4323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pbl_etq.sdf -rw-rw-r-- root/root 1289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pbm_es4.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pbu_up6.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pbv_up6.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pbw_up6.sdf -rw-rw-r-- root/root 2899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pbz_f02.sdf -rw-rw-r-- root/root 1606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pca_dhb.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pcb_3hb.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pcc_phb.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pce_3hp.sdf -rw-rw-r-- root/root 1524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pcf_fhb.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pcg_4hp.sdf -rw-rw-r-- root/root 1525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pch_chb.sdf -rw-rw-r-- root/root 1524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pci_ihb.sdf -rw-rw-r-- root/root 1550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pcj_ino.sdf -rw-rw-r-- root/root 1550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pck_nno.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pcn_dhy.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pcr_gtp.sdf -rw-rw-r-- root/root 4546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pcu_lx8.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pcv_gsh.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pcv_lmt.sdf -rw-rw-r-- root/root 86 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pcv_unl.sdf -rw-rw-r-- root/root 1881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pcw_fbf.sdf -rw-rw-r-- root/root 4279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pd3_a3t.sdf -rw-rw-r-- root/root 3667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pd4_a3g.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pd5_tsb.sdf -rw-rw-r-- root/root 1972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pd8_ha7.sdf -rw-rw-r-- root/root 1976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pd9_ha5.sdf -rw-rw-r-- root/root 3133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pdc_zyi.sdf -rw-rw-r-- root/root 6240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pdj_3pj.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pdq_kc6.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pds_clr.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pdt_adp.sdf -rw-rw-r-- root/root 3464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pe1_3ng.sdf -rw-rw-r-- root/root 3559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pe2_e1b.sdf -rw-rw-r-- root/root 5743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pe6_zyh.sdf -rw-rw-r-- root/root 9392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pec_zyg.sdf -rw-rw-r-- root/root 9580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ped_zyf.sdf -rw-rw-r-- root/root 6259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3peq_3eq.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pew_adp.sdf -rw-rw-r-- root/root 3178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pfp_035.sdf -rw-rw-r-- root/root 3178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pfp_036.sdf -rw-rw-r-- root/root 2855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pgh_flp.sdf -rw-rw-r-- root/root 3384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pgi_f41.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pgj_skm.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pgl_rzx.sdf -rw-rw-r-- root/root 4092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pgq_gy3.sdf -rw-rw-r-- root/root 6408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pgt_gbx.sdf -rw-rw-r-- root/root 3392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3phb_im5.sdf -rw-rw-r-- root/root 6391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3phe_c9a.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3phh_skm.sdf -rw-rw-r-- root/root 2032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3phj_dhk.sdf -rw-rw-r-- root/root 2958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pi0_f91.sdf -rw-rw-r-- root/root 5003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pi5_3p5.sdf -rw-rw-r-- root/root 4987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pix_027.sdf -rw-rw-r-- root/root 5219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3piy_585.sdf -rw-rw-r-- root/root 5186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3piz_03c.sdf -rw-rw-r-- root/root 5727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pj1_lhl.sdf -rw-rw-r-- root/root 5728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pj2_04k.sdf -rw-rw-r-- root/root 5420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pj3_04l.sdf -rw-rw-r-- root/root 4705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pj8_404.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pjc_pjc.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pjd_nad.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pjd_tcl.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pje_nad.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pje_tcl.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pjf_nad.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pjf_tcl.sdf -rw-rw-r-- root/root 5969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pka_y02.sdf -rw-rw-r-- root/root 4291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pkb_y16.sdf -rw-rw-r-- root/root 6065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pkc_y08.sdf -rw-rw-r-- root/root 5203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pkd_y10.sdf -rw-rw-r-- root/root 1954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pld_f90.sdf -rw-rw-r-- root/root 1954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pll_f06.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pls_anp.sdf -rw-rw-r-- root/root 5744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3plz_470.sdf -rw-rw-r-- root/root 3084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pm0_bhf.sdf -rw-rw-r-- root/root 2969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pm4_f5n.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pml_1gc.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pmn_1gc.sdf -rw-rw-r-- root/root 3443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pmu_f7l.sdf -rw-rw-r-- root/root 2969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pmy_41l.sdf -rw-rw-r-- root/root 4091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pn1_ivh.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pn3_pn3.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pn4_bb2.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pnb_coa.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pnc_1gc.sdf -rw-rw-r-- root/root 5080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pne_8ax.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pne_h4b.sdf -rw-rw-r-- root/root 5080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pnf_8bx.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pnf_h4b.sdf -rw-rw-r-- root/root 5061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3png_8cx.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3png_h4b.sdf -rw-rw-r-- root/root 5061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pnh_8cx.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pnh_h4b.sdf -rw-rw-r-- root/root 1130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pnq_2ha.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3po4_dds.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3po5_dds.sdf -rw-rw-r-- root/root 1462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3poo_bud.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3poo_s69.sdf -rw-rw-r-- root/root 5747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3poz_03p.sdf -rw-rw-r-- root/root 4888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pp0_03q.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pp1_atp.sdf -rw-rw-r-- root/root 3981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pp1_izg.sdf -rw-rw-r-- root/root 11572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pp7_svr.sdf -rw-rw-r-- root/root 4194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ppk_fni.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ppm_jg1.sdf -rw-rw-r-- root/root 2453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ppo_dck.sdf -rw-rw-r-- root/root 1830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ppp_bet.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ppq_cht.sdf -rw-rw-r-- root/root 1848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ppr_4cs.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ppz_stu.sdf -rw-rw-r-- root/root 4839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pr2_7mn.sdf -rw-rw-r-- root/root 4386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pre_3re.sdf -rw-rw-r-- root/root 3285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3prf_fp3.sdf -rw-rw-r-- root/root 4349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pri_fp4.sdf -rw-rw-r-- root/root 2977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3prz_3rz.sdf -rw-rw-r-- root/root 4308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ps1_zh2.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ps2_zh4.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ps3_l53.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ps6_3ps.sdf -rw-rw-r-- root/root 3969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3psb_sm6.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3psy_1pe.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3psy_pg4.sdf -rw-rw-r-- root/root 5925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3psy_rb9.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pt6_sah.sdf -rw-rw-r-- root/root 3969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ptg_932.sdf -rw-rw-r-- root/root 3462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ptq_nfg.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pv0_mal.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pv8_d3t.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pvf_pga.sdf -rw-rw-r-- root/root 2025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pvg_k68.sdf -rw-rw-r-- root/root 5055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pvu_qrw.sdf -rw-rw-r-- root/root 5221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pvw_qrx.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pw2_ttp.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pw5_ttp.sdf -rw-rw-r-- root/root 2751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pwd_cz0.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pwh_zma.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3px0_dcp.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3px6_dct.sdf -rw-rw-r-- root/root 1907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3px8_jp2.sdf -rw-rw-r-- root/root 2896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3px9_jp3.sdf -rw-rw-r-- root/root 2662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pxk_pxk.sdf -rw-rw-r-- root/root 7145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pxu_cod.sdf -rw-rw-r-- root/root 1853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3py4_tyl.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3py8_dct.sdf -rw-rw-r-- root/root 5896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pyb_a3c.sdf -rw-rw-r-- root/root 4795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pyh_3yh.sdf -rw-rw-r-- root/root 3545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pyy_3yy.sdf -rw-rw-r-- root/root 6097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pz1_3pz.sdf -rw-rw-r-- root/root 6097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pz2_3pz.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pz2_grg.sdf -rw-rw-r-- root/root 8477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pz3_pz3.sdf -rw-rw-r-- root/root 6097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pz4_3pz.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pz4_fpp.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pzc_coa.sdf -rw-rw-r-- root/root 4070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pzc_gap.sdf -rw-rw-r-- root/root 2693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pze_cfk.sdf -rw-rw-r-- root/root 2810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3pzh_emo.sdf -rw-rw-r-- root/root 3967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q0t_lge.sdf -rw-rw-r-- root/root 4052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q0u_ll3.sdf -rw-rw-r-- root/root 4183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q0v_ll4.sdf -rw-rw-r-- root/root 4093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q0w_ll5.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q1e_t44.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q1m_m4a.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q26_mal.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q27_mal.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q28_mal.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q29_mal.sdf -rw-rw-r-- root/root 1578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q2d_3ny.sdf -rw-rw-r-- root/root 3578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q2f_oam.sdf -rw-rw-r-- root/root 5892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q2g_qgf.sdf -rw-rw-r-- root/root 6201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q2h_qhf.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q2y_et.sdf -rw-rw-r-- root/root 6602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q2z_d9a.sdf -rw-rw-r-- root/root 7655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q30_d61.sdf -rw-rw-r-- root/root 5409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q32_j2i.sdf -rw-rw-r-- root/root 3239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q3b_55e.sdf -rw-rw-r-- root/root 5705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q3d_puy.sdf -rw-rw-r-- root/root 4795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q3k_d90.sdf -rw-rw-r-- root/root 4417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q3s_o8b.sdf -rw-rw-r-- root/root 6726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q3t_rx0.sdf -rw-rw-r-- root/root 4485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q43_d66.sdf -rw-rw-r-- root/root 5394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q44_d50.sdf -rw-rw-r-- root/root 6882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q4b_rx5.sdf -rw-rw-r-- root/root 4753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q4c_rsw.sdf -rw-rw-r-- root/root 5016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q4t_tak.sdf -rw-rw-r-- root/root 4889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q4u_ldn.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q4z_anp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q53_atp.sdf -rw-rw-r-- root/root 6887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q5h_rx6.sdf -rw-rw-r-- root/root 5113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q5p_tac.sdf -rw-rw-r-- root/root 6184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q5r_kan.sdf -rw-rw-r-- root/root 2351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q5s_ach.sdf -rw-rw-r-- root/root 6290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q6w_q6w.sdf -rw-rw-r-- root/root 4082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q6x_zz7.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q6y_1pe.sdf -rw-rw-r-- root/root 5305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q6y_s47.sdf -rw-rw-r-- root/root 4596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q77_2hy.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q7d_bog.sdf -rw-rw-r-- root/root 2848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q7d_npx.sdf -rw-rw-r-- root/root 2736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q7i_6pg.sdf -rw-rw-r-- root/root 5588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q7j_fbo.sdf -rw-rw-r-- root/root 1911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q7s_i3c.sdf -rw-rw-r-- root/root 2761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q88_ri2.sdf -rw-rw-r-- root/root 3983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q8h_ao9.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q8p_8og.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q8p_dcp.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q8q_8og.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q8q_dtp.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q8r_8og.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q8r_dgt.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q8s_8og.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q8s_ttp.sdf -rw-rw-r-- root/root 5116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q92_xnb.sdf -rw-rw-r-- root/root 6200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q96_0nf.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q9b_b3n.sdf -rw-rw-r-- root/root 3032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q9c_q9c.sdf -rw-rw-r-- root/root 85 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q9e_sp5.sdf -rw-rw-r-- root/root 1341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q9k_fte.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q9o_nad.sdf -rw-rw-r-- root/root 2647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3q9z_txq.sdf -rw-rw-r-- root/root 5022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qa2_xna.sdf -rw-rw-r-- root/root 7291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qaa_g04.sdf -rw-rw-r-- root/root 5223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qai_xnn.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qak_olc.sdf -rw-rw-r-- root/root 9400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qak_uka.sdf -rw-rw-r-- root/root 3808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qaq_qaq.sdf -rw-rw-r-- root/root 3349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qar_qar.sdf -rw-rw-r-- root/root 6355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qbf_jhg.sdf -rw-rw-r-- root/root 4375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qbj_nxz.sdf -rw-rw-r-- root/root 3843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qbn_e9z.sdf -rw-rw-r-- root/root 5519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qc4_mp7.sdf -rw-rw-r-- root/root 2449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qce_nxy.sdf -rw-rw-r-- root/root 3074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qch_nx2.sdf -rw-rw-r-- root/root 3900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qci_nx3.sdf -rw-rw-r-- root/root 4359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qcj_nx4.sdf -rw-rw-r-- root/root 2709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qck_nx5.sdf -rw-rw-r-- root/root 3511 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qcl_nxv.sdf -rw-rw-r-- root/root 5565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qcm_nxw.sdf -rw-rw-r-- root/root 3228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qcq_3q0.sdf -rw-rw-r-- root/root 3689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qcs_3q1.sdf -rw-rw-r-- root/root 3949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qcx_3q2.sdf -rw-rw-r-- root/root 4963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qcy_3q3.sdf -rw-rw-r-- root/root 5389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qd0_3q4.sdf -rw-rw-r-- root/root 5614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qd3_3q5.sdf -rw-rw-r-- root/root 5614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qd4_3q6.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qe0_gdp.sdf -rw-rw-r-- root/root 2220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qe4_4cf.sdf -rw-rw-r-- root/root 4595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qel_qel.sdf -rw-rw-r-- root/root 4863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qem_qem.sdf -rw-rw-r-- root/root 2685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qen_5bt.sdf -rw-rw-r-- root/root 2850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qeo_llt.sdf -rw-rw-r-- root/root 1478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qf1_pze.sdf -rw-rw-r-- root/root 3565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qf9_nm8.sdf -rw-rw-r-- root/root 2715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qfv_nm7.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qfx_cp6.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qg2_cp6.sdf -rw-rw-r-- root/root 6521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qgd_26s.sdf -rw-rw-r-- root/root 6388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qge_26f.sdf -rw-rw-r-- root/root 5692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qgf_46f.sdf -rw-rw-r-- root/root 6705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qgg_63f.sdf -rw-rw-r-- root/root 6705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qgh_63f.sdf -rw-rw-r-- root/root 7118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qgi_33f.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qgt_cp6.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qgw_l7a.sdf -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qgw_pqc.sdf -rw-rw-r-- root/root 4918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qgy_l7o.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qh0_plm.sdf -rw-rw-r-- root/root 2401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qh2_3nm.sdf -rw-rw-r-- root/root 2932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qh5_nx6.sdf -rw-rw-r-- root/root 2768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qhd_ctn.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qi2_gdp.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qi3_pdb.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qi4_ibm.sdf -rw-rw-r-- root/root 2118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qih_fg7.sdf -rw-rw-r-- root/root 4398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qih_ni7.sdf -rw-rw-r-- root/root 3010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qio_qid.sdf -rw-rw-r-- root/root 3153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qip_nvp.sdf -rw-rw-r-- root/root 3908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qip_p4y.sdf -rw-rw-r-- root/root 4002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qiy_qi1.sdf -rw-rw-r-- root/root 5669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qiz_qi2.sdf -rw-rw-r-- root/root 3961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qj0_qi3.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qj5_022.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qj7_ump.sdf -rw-rw-r-- root/root 5312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qj9_qj9.sdf -rw-rw-r-- root/root 3071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qjz_qjz.sdf -rw-rw-r-- root/root 4194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qk0_qk0.sdf -rw-rw-r-- root/root 5323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qk5_qk5.sdf -rw-rw-r-- root/root 9354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qkd_hi0.sdf -rw-rw-r-- root/root 2280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qke_gco.sdf -rw-rw-r-- root/root 6840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qkk_smh.sdf -rw-rw-r-- root/root 7113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qkl_smr.sdf -rw-rw-r-- root/root 7550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qkm_sm9.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ql0_fol.sdf -rw-rw-r-- root/root 3078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ql6_nim.sdf -rw-rw-r-- root/root 4881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qlf_pd5.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qlg_1n1.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qlm_plm.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qlr_qlr.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qls_55v.sdf -rw-rw-r-- root/root 3907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qlw_n22.sdf -rw-rw-r-- root/root 3576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qmo_ns4.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qn1_a8s.sdf -rw-rw-r-- root/root 2598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qna_bio.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qnl_p33.sdf -rw-rw-r-- root/root 3871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qnl_roa.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qo7_atp.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qo8_ssa.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qoa_3qo.sdf -rw-rw-r-- root/root 6785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qoa_cm5.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qow_sam.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qox_sah.sdf -rw-rw-r-- root/root 4918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qp0_ni8.sdf -rw-rw-r-- root/root 3670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qpg_3qp.sdf -rw-rw-r-- root/root 1494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qpj_dtd.sdf -rw-rw-r-- root/root 5927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qpj_n4i.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qpn_pfk.sdf -rw-rw-r-- root/root 5555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qpo_pfr.sdf -rw-rw-r-- root/root 6110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qpp_pfw.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qpw_adp.sdf -rw-rw-r-- root/root 4105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qqp_s05.sdf -rw-rw-r-- root/root 2798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qqs_17c.sdf -rw-rw-r-- root/root 860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qqs_dpo.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qqs_prp.sdf -rw-rw-r-- root/root 3818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qqt_sds.sdf -rw-rw-r-- root/root 5119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qqu_01p.sdf -rw-rw-r-- root/root 6309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qri_919.sdf -rw-rw-r-- root/root 6309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qrj_919.sdf -rw-rw-r-- root/root 5377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qrk_9dp.sdf -rw-rw-r-- root/root 1494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qrm_dtd.sdf -rw-rw-r-- root/root 6128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qrm_nk7.sdf -rw-rw-r-- root/root 1494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qro_dtd.sdf -rw-rw-r-- root/root 6023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qro_nk9.sdf -rw-rw-r-- root/root 6200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qrs_nk8.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qrt_x14.sdf -rw-rw-r-- root/root 2599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qs8_17d.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qs8_prp.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qsa_prp.sdf -rw-rw-r-- root/root 2431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qsa_ta7.sdf -rw-rw-r-- root/root 5351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qsb_743.sdf -rw-rw-r-- root/root 6041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qt0_486.sdf -rw-rw-r-- root/root 5584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qtf_05s.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qti_3qt.sdf -rw-rw-r-- root/root 1325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qu8_3qu.sdf -rw-rw-r-- root/root 4782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3que_3ff.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3que_bog.sdf -rw-rw-r-- root/root 5295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qup_lun.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qus_ags.sdf -rw-rw-r-- root/root 6504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qv6_qv6.sdf -rw-rw-r-- root/root 5495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qv7_qv7.sdf -rw-rw-r-- root/root 2106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qv8_s62.sdf -rw-rw-r-- root/root 1458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qvu_npo.sdf -rw-rw-r-- root/root 1817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qvv_3qv.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qwp_sam.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qwv_sah.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qww_sfg.sdf -rw-rw-r-- root/root 6748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qx3_evp.sdf -rw-rw-r-- root/root 7545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qx8_gtg.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qx9_atp.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qxm_ndz.sdf -rw-rw-r-- root/root 2518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qxx_8ac.sdf -rw-rw-r-- root/root 3543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qyk_ie2.sdf -rw-rw-r-- root/root 2475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qyl_7me.sdf -rw-rw-r-- root/root 1883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qyo_q24.sdf -rw-rw-r-- root/root 2365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qyw_6pb.sdf -rw-rw-r-- root/root 3109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qyz_z8b.sdf -rw-rw-r-- root/root 4871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qz1_3qz.sdf -rw-rw-r-- root/root 7550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qzq_ag7.sdf -rw-rw-r-- root/root 7550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3qzr_ag7.sdf -rw-rw-r-- root/root 2089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r01_une.sdf -rw-rw-r-- root/root 3498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r02_unm.sdf -rw-rw-r-- root/root 4229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r04_unq.sdf -rw-rw-r-- root/root 7550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r0f_ag7.sdf -rw-rw-r-- root/root 3119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r0i_c0k.sdf -rw-rw-r-- root/root 4468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r0t_fu9.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r1k_coa.sdf -rw-rw-r-- root/root 4703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r1n_05b.sdf -rw-rw-r-- root/root 5340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r21_d36.sdf -rw-rw-r-- root/root 4644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r22_d37.sdf -rw-rw-r-- root/root 2748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r2a_rhn.sdf -rw-rw-r-- root/root 4703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r2b_05b.sdf -rw-rw-r-- root/root 4063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r30_cd2.sdf -rw-rw-r-- root/root 2475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r33_6me.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r3e_gsh.sdf -rw-rw-r-- root/root 3028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r43_id8.sdf -rw-rw-r-- root/root 1797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r49_q8a.sdf -rw-rw-r-- root/root 1887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r4g_4so.sdf -rw-rw-r-- root/root 5046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r4o_fu3.sdf -rw-rw-r-- root/root 5044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r4p_fu7.sdf -rw-rw-r-- root/root 1334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r4x_pza.sdf -rw-rw-r-- root/root 1491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r54_fp6.sdf -rw-rw-r-- root/root 1334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r55_pza.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r56_6ai.sdf -rw-rw-r-- root/root 1950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r57_n3m.sdf -rw-rw-r-- root/root 2849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r58_nps.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r59_3ao.sdf -rw-rw-r-- root/root 3471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r5m_mlo.sdf -rw-rw-r-- root/root 1939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r5o_eug.sdf -rw-rw-r-- root/root 1215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r5q_fu1.sdf -rw-rw-r-- root/root 3471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r6c_17n.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r6c_prp.sdf -rw-rw-r-- root/root 2788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r6i_jms.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r6p_a8s.sdf -rw-rw-r-- root/root 5599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r6t_lu1.sdf -rw-rw-r-- root/root 1913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r6w_nfz.sdf -rw-rw-r-- root/root 1148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r7f_cp.sdf -rw-rw-r-- root/root 2394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r7l_pal.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r7m_suz.sdf -rw-rw-r-- root/root 6548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r7o_m61.sdf -rw-rw-r-- root/root 3528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r7q_fav.sdf -rw-rw-r-- root/root 4411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r7r_faz.sdf -rw-rw-r-- root/root 2315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r88_14f.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r88_prp.sdf -rw-rw-r-- root/root 5317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r8a_hig.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r8g_izp.sdf -rw-rw-r-- root/root 3129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r8h_zom.sdf -rw-rw-r-- root/root 5940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r8i_xcx.sdf -rw-rw-r-- root/root 5771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r91_06h.sdf -rw-rw-r-- root/root 5951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r92_06j.sdf -rw-rw-r-- root/root 2854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r94_flr.sdf -rw-rw-r-- root/root 6064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3r9v_dxc.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rad_nfx.sdf -rw-rw-r-- root/root 3962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ral_04z.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ran_gdp.sdf -rw-rw-r-- root/root 3120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ras_dcv.sdf -rw-rw-r-- root/root 3117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ras_fm5.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ras_ndp.sdf -rw-rw-r-- root/root 3364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3raw_3ra.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rax_dgt.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rb0_dgt.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rb3_dgt.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rb4_dgt.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rb6_dgt.sdf -rw-rw-r-- root/root 7145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rba_cod.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rbd_dgt.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rbe_dgt.sdf -rw-rw-r-- root/root 5747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rcd_03p.sdf -rw-rw-r-- root/root 2879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rcf_bs4.sdf -rw-rw-r-- root/root 1240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rci_m3i.sdf -rw-rw-r-- root/root 3167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rcj_3rc.sdf -rw-rw-r-- root/root 1668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rck_1fp.sdf -rw-rw-r-- root/root 1889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rcl_5ao.sdf -rw-rw-r-- root/root 1489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rcw_mb3.sdf -rw-rw-r-- root/root 2604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rd9_msy.sdf -rw-rw-r-- root/root 1240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rda_mio.sdf -rw-rw-r-- root/root 2080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rdb_5mz.sdf -rw-rw-r-- root/root 3180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rdd_ea4.sdf -rw-rw-r-- root/root 2822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rdp_nmf.sdf -rw-rw-r-- root/root 2975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rdq_dtb.sdf -rw-rw-r-- root/root 3144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3re4_to1.sdf -rw-rw-r-- root/root 1939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3reo_eug.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rep_atp.sdf -rw-rw-r-- root/root 5331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rey_xac.sdf -rw-rw-r-- root/root 2236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rfm_cff.sdf -rw-rw-r-- root/root 3840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rg9_wra.sdf -rw-rw-r-- root/root 5260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rga_lsb.sdf -rw-rw-r-- root/root 4441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rgf_bax.sdf -rw-rw-r-- root/root 1948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rgt_ez4.sdf -rw-rw-r-- root/root 10061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rgy_lp5.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rh4_ctp.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rh4_ddg.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rh5_dcp.sdf -rw-rw-r-- root/root 4113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rhk_m97.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rhn_5gp.sdf -rw-rw-r-- root/root 3333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rhx_3rh.sdf -rw-rw-r-- root/root 3333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ri1_3rh.sdf -rw-rw-r-- root/root 13348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ric_cis.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rik_3ri.sdf -rw-rw-r-- root/root 2199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ril_3rk.sdf -rw-rw-r-- root/root 4668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rin_i2o.sdf -rw-rw-r-- root/root 5649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rix_923.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rje_8og.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rjf_f2a.sdf -rw-rw-r-- root/root 4236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rjh_6cf.sdf -rw-rw-r-- root/root 4236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rji_6cf.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rji_8og.sdf -rw-rw-r-- root/root 7512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rjw_ciq.sdf -rw-rw-r-- root/root 2153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rke_mzz.sdf -rw-rw-r-- root/root 3212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rlb_vib.sdf -rw-rw-r-- root/root 3878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rlj_rlj.sdf -rw-rw-r-- root/root 4446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rll_rll.sdf -rw-rw-r-- root/root 3739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rm4_3rm.sdf -rw-rw-r-- root/root 5033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rm6_18z.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rm8_rm8.sdf -rw-rw-r-- root/root 2833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rm9_613.sdf -rw-rw-r-- root/root 3437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rme_rme.sdf -rw-rw-r-- root/root 4179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rmf_20z.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rmv_udp.sdf -rw-rw-r-- root/root 5478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rmw_upg.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rn6_iga.sdf -rw-rw-r-- root/root 1494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rnd_3rn.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rno_nap.sdf -rw-rw-r-- root/root 4480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ro4_lj9.sdf -rw-rw-r-- root/root 4892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ro5_lgh.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ro7_tdr.sdf -rw-rw-r-- root/root 4512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3roc_29a.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3roe_thm.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rog_t3p.sdf -rw-rw-r-- root/root 1971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rox_tep.sdf -rw-rw-r-- root/root 4738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3roy_22z.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3roz_nca.sdf -rw-rw-r-- root/root 1550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rp7_urc.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rpn_gtx.sdf -rw-rw-r-- root/root 4240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rpo_24z.sdf -rw-rw-r-- root/root 2282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rps_4b0.sdf -rw-rw-r-- root/root 3801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rpv_26z.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rqj_h4b.sdf -rw-rw-r-- root/root 5164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rqj_y2b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rqk_h4b.sdf -rw-rw-r-- root/root 5413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rqk_x2c.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rql_h4b.sdf -rw-rw-r-- root/root 5165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rql_x2d.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rqm_h4b.sdf -rw-rw-r-- root/root 5317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rqm_x2e.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rqo_h4b.sdf -rw-rw-r-- root/root 5165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rqo_x2d.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rqp_h4b.sdf -rw-rw-r-- root/root 5317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rqp_x2e.sdf -rw-rw-r-- root/root 2351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rqw_ach.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rr3_bog.sdf -rw-rw-r-- root/root 2854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rr3_flr.sdf -rw-rw-r-- root/root 2784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rr4_hrd.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rr8_dg3.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rrg_dg3.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rrh_ttp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rrm_adp.sdf -rw-rw-r-- root/root 5863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rsv_3rs.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rti_fmp.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rtp_34i.sdf -rw-rw-r-- root/root 2828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rts_klg.sdf -rw-rw-r-- root/root 3455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rtt_klh.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rtv_dcp.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ru0_sfg.sdf -rw-rw-r-- root/root 5145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ruk_aer.sdf -rw-rw-r-- root/root 5265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rut_59g.sdf -rw-rw-r-- root/root 5348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ruu_37g.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rv3_adp.sdf -rw-rw-r-- root/root 6064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rv5_dxc.sdf -rw-rw-r-- root/root 3147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rv6_rva.sdf -rw-rw-r-- root/root 3147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rv6_vae.sdf -rw-rw-r-- root/root 3018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rv7_rvb.sdf -rw-rw-r-- root/root 2865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rv8_rvc.sdf -rw-rw-r-- root/root 2774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rv9_rvd.sdf -rw-rw-r-- root/root 5339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rvf_034.sdf -rw-rw-r-- root/root 4842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rvg_17p.sdf -rw-rw-r-- root/root 3237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rvh_hq2.sdf -rw-rw-r-- root/root 1808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rwb_4pl.sdf -rw-rw-r-- root/root 5317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rwp_abq.sdf -rw-rw-r-- root/root 4751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rwq_3rw.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rx2_slo.sdf -rw-rw-r-- root/root 3764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rx4_sfi.sdf -rw-rw-r-- root/root 2948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rye_unr.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ryo_aco.sdf -rw-rw-r-- root/root 3085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ryz_ryz.sdf -rw-rw-r-- root/root 3367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rz1_rz1.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rz3_u94.sdf -rw-rw-r-- root/root 3653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rz7_rz7.sdf -rw-rw-r-- root/root 3830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rze_5eh.sdf -rw-rw-r-- root/root 13348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rzn_cis.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3rzp_prf.sdf -rw-rw-r-- root/root 2013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s04_ram.sdf -rw-rw-r-- root/root 13348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s0i_cis.sdf -rw-rw-r-- root/root 11426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s0k_03f.sdf -rw-rw-r-- root/root 4314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s0n_0bb.sdf -rw-rw-r-- root/root 2348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s1g_ite.sdf -rw-rw-r-- root/root 3962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s1h_56z.sdf -rw-rw-r-- root/root 4977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s2a_2nq.sdf -rw-rw-r-- root/root 3627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s2v_3hu.sdf -rw-rw-r-- root/root 3116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s3g_tlt.sdf -rw-rw-r-- root/root 2667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s3h_ptr.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s3i_cq0.sdf -rw-rw-r-- root/root 1922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s3k_csn.sdf -rw-rw-r-- root/root 4522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s3m_dlu.sdf -rw-rw-r-- root/root 4522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s3n_dlu.sdf -rw-rw-r-- root/root 4522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s3o_dlu.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s3v_top.sdf -rw-rw-r-- root/root 4785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s41_s41.sdf -rw-rw-r-- root/root 1060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s42_mla.sdf -rw-rw-r-- root/root 6288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s45_478.sdf -rw-rw-r-- root/root 1351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s4f_pzr.sdf -rw-rw-r-- root/root 2603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s4j_unv.sdf -rw-rw-r-- root/root 5039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s4q_nk0.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s5y_dgj.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s5z_gla.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s68_sam.sdf -rw-rw-r-- root/root 2909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s68_tcw.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s79_asd.sdf -rw-rw-r-- root/root 5326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s7a_684.sdf -rw-rw-r-- root/root 6938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s7b_nh5.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s7b_sam.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s7d_sah.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s7f_sam.sdf -rw-rw-r-- root/root 4221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s7l_591.sdf -rw-rw-r-- root/root 7256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s7o_lbv.sdf -rw-rw-r-- root/root 4172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s7s_exm.sdf -rw-rw-r-- root/root 5214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s91_jq1.sdf -rw-rw-r-- root/root 5214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s92_jq1.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s95_stu.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s9i_xi7.sdf -rw-rw-r-- root/root 4933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s9s_m0t.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s9t_e49.sdf -rw-rw-r-- root/root 2078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3s9z_i92.sdf -rw-rw-r-- root/root 2562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sa0_nra.sdf -rw-rw-r-- root/root 7441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sa3_23x.sdf -rw-rw-r-- root/root 6886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sa4_f72.sdf -rw-rw-r-- root/root 6612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sa6_f71.sdf -rw-rw-r-- root/root 7441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sa7_55a.sdf -rw-rw-r-- root/root 6402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sa8_k83.sdf -rw-rw-r-- root/root 7324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sa9_a68.sdf -rw-rw-r-- root/root 7029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3saa_77f.sdf -rw-rw-r-- root/root 7051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sab_f78.sdf -rw-rw-r-- root/root 6352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sac_af8.sdf -rw-rw-r-- root/root 2326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sad_040.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sae_fps.sdf -rw-rw-r-- root/root 3926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sap_e2i.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sax_e50.sdf -rw-rw-r-- root/root 4502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3say_oft.sdf -rw-rw-r-- root/root 2078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3saz_043.sdf -rw-rw-r-- root/root 2349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sb0_i93.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sbd_gnp.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sbe_gnp.sdf -rw-rw-r-- root/root 2965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sc1_3s1.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sco_glf.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3scq_glf.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3scs_glf.sdf -rw-rw-r-- root/root 7841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sct_ctt.sdf -rw-rw-r-- root/root 9718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3scu_ce5.sdf -rw-rw-r-- root/root 7841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3scw_ctt.sdf -rw-rw-r-- root/root 1361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3scz_hpa.sdf -rw-rw-r-- root/root 4111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sd0_tsk.sdf -rw-rw-r-- root/root 4592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sd5_sd5.sdf -rw-rw-r-- root/root 10973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sdf_ltc.sdf -rw-rw-r-- root/root 3588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sdg_3se.sdf -rw-rw-r-- root/root 2202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sdr_210.sdf -rw-rw-r-- root/root 2172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sdt_ahd.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sdu_gst.sdf -rw-rw-r-- root/root 1764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sdv_911.sdf -rw-rw-r-- root/root 13148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sdx_gcy.sdf -rw-rw-r-- root/root 1681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3se2_3ab.sdf -rw-rw-r-- root/root 2267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3se2_ldr.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sea_gdp.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sea_gnp.sdf -rw-rw-r-- root/root 3316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sec_pfu.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sew_mal.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sf0_amp.sdf -rw-rw-r-- root/root 6217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sfc_s53.sdf -rw-rw-r-- root/root 4388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sff_0di.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sfh_1di.sdf -rw-rw-r-- root/root 3848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sfi_3sf.sdf -rw-rw-r-- root/root 3440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sfk_d67.sdf -rw-rw-r-- root/root 4228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sgt_p09.sdf -rw-rw-r-- root/root 4436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sgv_2bj.sdf -rw-rw-r-- root/root 4899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sgx_0fw.sdf -rw-rw-r-- root/root 4647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sgy_06w.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sgz_fmn.sdf -rw-rw-r-- root/root 4726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sh0_sax.sdf -rw-rw-r-- root/root 4470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sh2_5dr.sdf -rw-rw-r-- root/root 2846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sh7_bb0.sdf -rw-rw-r-- root/root 3484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sh8_ced.sdf -rw-rw-r-- root/root 5151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3she_i85.sdf -rw-rw-r-- root/root 5171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3shy_5fo.sdf -rw-rw-r-- root/root 5172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3shz_5co.sdf -rw-rw-r-- root/root 3827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3si2_pbd.sdf -rw-rw-r-- root/root 5172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sie_5bo.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sj6_rip.sdf -rw-rw-r-- root/root 5054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sjf_jrg.sdf -rw-rw-r-- root/root 4383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sjg_sdr.sdf -rw-rw-r-- root/root 1681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sjq_phu.sdf -rw-rw-r-- root/root 2804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sjt_5ab.sdf -rw-rw-r-- root/root 3434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sjx_qrg.sdf -rw-rw-r-- root/root 2916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sk2_gri.sdf -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ska_053.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3skc_br2.sdf -rw-rw-r-- root/root 4581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ske_054.sdf -rw-rw-r-- root/root 3895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3skh_058.sdf -rw-rw-r-- root/root 2824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3skk_4u7.sdf -rw-rw-r-- root/root 4571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sl4_jn4.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sl5_j25.sdf -rw-rw-r-- root/root 5271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sl6_jn8.sdf -rw-rw-r-- root/root 5021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sl8_jn7.sdf -rw-rw-r-- root/root 1768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3slh_gpj.sdf -rw-rw-r-- root/root 5197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sls_77d.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sls_anp.sdf -rw-rw-r-- root/root 5920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3slz_3tl.sdf -rw-rw-r-- root/root 4451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sm0_aek.sdf -rw-rw-r-- root/root 6288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sm2_478.sdf -rw-rw-r-- root/root 4144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sm9_z99.sdf -rw-rw-r-- root/root 2986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3smi_qdr.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3smj_fdr.sdf -rw-rw-r-- root/root 8448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3smk_cw7.sdf -rw-rw-r-- root/root 5826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sml_fw1.sdf -rw-rw-r-- root/root 5284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3smm_fja.sdf -rw-rw-r-- root/root 8143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3smn_fc7.sdf -rw-rw-r-- root/root 5284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3smo_fja.sdf -rw-rw-r-- root/root 3578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3smq_tdu.sdf -rw-rw-r-- root/root 4161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3smr_np7.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sms_adp.sdf -rw-rw-r-- root/root 4797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sms_rnh.sdf -rw-rw-r-- root/root 6400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sn5_k2b.sdf -rw-rw-r-- root/root 3871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sn7_540.sdf -rw-rw-r-- root/root 3777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sni_546.sdf -rw-rw-r-- root/root 4436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3soc_gvd.sdf -rw-rw-r-- root/root 5764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sor_o58.sdf -rw-rw-r-- root/root 5788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sos_o61.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sp3_suc.sdf -rw-rw-r-- root/root 5284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sp5_cx7.sdf -rw-rw-r-- root/root 5186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sp6_il2.sdf -rw-rw-r-- root/root 10238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sp7_03b.sdf -rw-rw-r-- root/root 5186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sp9_il2.sdf -rw-rw-r-- root/root 6675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3spf_b50.sdf -rw-rw-r-- root/root 8143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3spr_fc7.sdf -rw-rw-r-- root/root 12891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3spw_t7m.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sqj_myr.sdf -rw-rw-r-- root/root 2437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sqp_3j8.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sqq_99z.sdf -rw-rw-r-- root/root 3145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sqy_q11.sdf -rw-rw-r-- root/root 4455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sr4_tt8.sdf -rw-rw-r-- root/root 3759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sr5_q12.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sr6_mte.sdf -rw-rw-r-- root/root 730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sr6_rmo.sdf -rw-rw-r-- root/root 2325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3srb_28s.sdf -rw-rw-r-- root/root 1927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3src_28n.sdf -rw-rw-r-- root/root 3499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3srq_q19.sdf -rw-rw-r-- root/root 3853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3srr_q20.sdf -rw-rw-r-- root/root 3675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3srs_m23.sdf -rw-rw-r-- root/root 5033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sru_q26.sdf -rw-rw-r-- root/root 4277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3srv_s19.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3srw_q27.sdf -rw-rw-r-- root/root 3329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ssj_fnu.sdf -rw-rw-r-- root/root 9261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ssn_mvi.sdf -rw-rw-r-- root/root 2239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3st6_rve.sdf -rw-rw-r-- root/root 4408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3std_mq0.sdf -rw-rw-r-- root/root 7014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3str_3li.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3su8_gnp.sdf -rw-rw-r-- root/root 6804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3su9_epz.sdf -rw-rw-r-- root/root 4769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sv3_5si.sdf -rw-rw-r-- root/root 3128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3svh_krg.sdf -rw-rw-r-- root/root 6546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3svj_4li.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3svp_h4b.sdf -rw-rw-r-- root/root 5091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3svp_jk5.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3svq_h4b.sdf -rw-rw-r-- root/root 5090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3svq_jk4.sdf -rw-rw-r-- root/root 4057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sw7_19k.sdf -rw-rw-r-- root/root 2507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sw8_5li.sdf -rw-rw-r-- root/root 6009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3swa_ud1.sdf -rw-rw-r-- root/root 6638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3swi_upn.sdf -rw-rw-r-- root/root 6638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3swq_epu.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3swr_sfg.sdf -rw-rw-r-- root/root 4037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sww_kxb.sdf -rw-rw-r-- root/root 5523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3swz_tok.sdf -rw-rw-r-- root/root 4289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sx0_sx0.sdf -rw-rw-r-- root/root 4426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sx4_kxa.sdf -rw-rw-r-- root/root 4725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sx6_dcq.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sxr_1n1.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sxs_pp2.sdf -rw-rw-r-- root/root 978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3sxv_3tr.sdf -rw-rw-r-- root/root 4725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3szc_dcq.sdf -rw-rw-r-- root/root 2479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3szl_h6p.sdf -rw-rw-r-- root/root 2479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3szu_h6p.sdf -rw-rw-r-- root/root 4725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3szw_dcq.sdf -rw-rw-r-- root/root 3789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t03_3t0.sdf -rw-rw-r-- root/root 3990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t07_09c.sdf -rw-rw-r-- root/root 2479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t0f_h6p.sdf -rw-rw-r-- root/root 2479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t0g_h6p.sdf -rw-rw-r-- root/root 3528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t0l_1ct.sdf -rw-rw-r-- root/root 3943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t0m_2ct.sdf -rw-rw-r-- root/root 3354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t0t_i30.sdf -rw-rw-r-- root/root 5045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t11_3t1.sdf -rw-rw-r-- root/root 4199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t19_5ma.sdf -rw-rw-r-- root/root 4199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t1a_5ma.sdf -rw-rw-r-- root/root 1612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t1d_dbh.sdf -rw-rw-r-- root/root 2590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t1d_dbs.sdf -rw-rw-r-- root/root 3567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t1d_td1.sdf -rw-rw-r-- root/root 4261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t1l_mqt.sdf -rw-rw-r-- root/root 5253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t1m_dqt.sdf -rw-rw-r-- root/root 3101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t2d_p6f.sdf -rw-rw-r-- root/root 2643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t2e_f6r.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t2g_13p.sdf -rw-rw-r-- root/root 4261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t2t_mqt.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t2v_kkj.sdf -rw-rw-r-- root/root 1462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t2z_bu2.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t39_skm.sdf -rw-rw-r-- root/root 4553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t3f_n5p.sdf -rw-rw-r-- root/root 4233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t3m_rc2.sdf -rw-rw-r-- root/root 2828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t3q_9pl.sdf -rw-rw-r-- root/root 2828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t3r_9pl.sdf -rw-rw-r-- root/root 2828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t3s_9pl.sdf -rw-rw-r-- root/root 2050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t3y_md6.sdf -rw-rw-r-- root/root 2828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t3z_9pl.sdf -rw-rw-r-- root/root 2142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t40_3rg.sdf -rw-rw-r-- root/root 3650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t42_3t4.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t44_be2.sdf -rw-rw-r-- root/root 3039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t44_igp.sdf -rw-rw-r-- root/root 3168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t4h_md5.sdf -rw-rw-r-- root/root 2580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t4j_zip.sdf -rw-rw-r-- root/root 2614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t4k_emu.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t4l_zea.sdf -rw-rw-r-- root/root 2838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t4o_wa2.sdf -rw-rw-r-- root/root 2354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t4s_h35.sdf -rw-rw-r-- root/root 2173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t4t_wa1.sdf -rw-rw-r-- root/root 3497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t4v_md3.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t54_atp.sdf -rw-rw-r-- root/root 2693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t55_4rg.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t55_mli.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t5g_far.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t5h_dgt.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t5i_far.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t5k_dtp.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t5l_dgt.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t67_caq.sdf -rw-rw-r-- root/root 3014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t6f_bso.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t6f_btn.sdf -rw-rw-r-- root/root 6522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t6i_nc8.sdf -rw-rw-r-- root/root 5415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t6i_nc9.sdf -rw-rw-r-- root/root 1338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t6i_z82.sdf -rw-rw-r-- root/root 1618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t78_5rg.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t78_mli.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t7a_adp.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t7m_udp.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t7o_glc.sdf -rw-rw-r-- root/root 5478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t7o_upg.sdf -rw-rw-r-- root/root 3607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t7p_7sp.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t7p_pge.sdf -rw-rw-r-- root/root 4544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t7q_rb4.sdf -rw-rw-r-- root/root 4787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t83_sg5.sdf -rw-rw-r-- root/root 6107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t8m_3t8.sdf -rw-rw-r-- root/root 7328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t8v_btj.sdf -rw-rw-r-- root/root 15574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t8x_t8x.sdf -rw-rw-r-- root/root 10639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t8x_uli.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t9b_anp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t9c_anp.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t9c_ihp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t9d_anp.sdf -rw-rw-r-- root/root 5417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t9d_i7p.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t9e_adp.sdf -rw-rw-r-- root/root 5417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t9e_i7p.sdf -rw-rw-r-- root/root 463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t9e_mgf.sdf -rw-rw-r-- root/root 3617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3t9i_3t9.sdf -rw-rw-r-- root/root 3022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3taj_nbo.sdf -rw-rw-r-- root/root 3903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tam_m06.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tao_pgh.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tb4_bog.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tbg_rtz.sdf -rw-rw-r-- root/root 5603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tc5_3t5.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tc5_p6g.sdf -rw-rw-r-- root/root 5250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tcp_ckj.sdf -rw-rw-r-- root/root 2573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tct_3mi.sdf -rw-rw-r-- root/root 5292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tcz_r2z.sdf -rw-rw-r-- root/root 4835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3td8_d2r.sdf -rw-rw-r-- root/root 4468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tda_pn0.sdf -rw-rw-r-- root/root 6896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tdb_3tb.sdf -rw-rw-r-- root/root 6502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tdc_0eu.sdf -rw-rw-r-- root/root 5732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tdl_11d.sdf -rw-rw-r-- root/root 2199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tdt_26p.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3te4_aco.sdf -rw-rw-r-- root/root 4133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3te7_te7.sdf -rw-rw-r-- root/root 2304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3teh_dah.sdf -rw-rw-r-- root/root 4662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tem_6a1.sdf -rw-rw-r-- root/root 1612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tf6_dbh.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tfj_thg.sdf -rw-rw-r-- root/root 5695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tfn_2cj.sdf -rw-rw-r-- root/root 4003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tfp_03l.sdf -rw-rw-r-- root/root 3261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tfq_07m.sdf -rw-rw-r-- root/root 4435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tfr_f3a.sdf -rw-rw-r-- root/root 4424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tfs_fha.sdf -rw-rw-r-- root/root 4463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tfu_pl8.sdf -rw-rw-r-- root/root 4879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tfv_2cn.sdf -rw-rw-r-- root/root 2409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tg2_isc.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tg4_sam.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tg5_sah.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tg6_0mm.sdf -rw-rw-r-- root/root 5958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tge_tge.sdf -rw-rw-r-- root/root 5675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tgg_0h3.sdf -rw-rw-r-- root/root 3667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tgm_3tg.sdf -rw-rw-r-- root/root 2116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tgw_aes.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tgy_asc.sdf -rw-rw-r-- root/root 4677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3th8_th9.sdf -rw-rw-r-- root/root 6038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3th9_9y9.sdf -rw-rw-r-- root/root 5103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3thb_3ta.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3thd_dgj.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3the_bcn.sdf -rw-rw-r-- root/root 2541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3thh_abh.sdf -rw-rw-r-- root/root 5266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3thr_c2f.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3thv_dds.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ti0_dg3.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ti3_lnv.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ti4_lvo.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ti5_zmr.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ti6_g39.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tia_lnv.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tib_lvo.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tic_zmr.sdf -rw-rw-r-- root/root 5022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tj2_tj2.sdf -rw-rw-r-- root/root 4211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tjc_0tp.sdf -rw-rw-r-- root/root 4550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tjd_6tp.sdf -rw-rw-r-- root/root 4852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tjp_13k.sdf -rw-rw-r-- root/root 7701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tjs_d0r.sdf -rw-rw-r-- root/root 5742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tk5_d1q.sdf -rw-rw-r-- root/root 4419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tk6_d46.sdf -rw-rw-r-- root/root 5475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tkh_07s.sdf -rw-rw-r-- root/root 4837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tki_s25.sdf -rw-rw-r-- root/root 4435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tkm_gw0.sdf -rw-rw-r-- root/root 3394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tku_m77.sdf -rw-rw-r-- root/root 2292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tky_n7i.sdf -rw-rw-r-- root/root 2728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tl1_jro.sdf -rw-rw-r-- root/root 5907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tl5_980.sdf -rw-rw-r-- root/root 4584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tlb_dsz.sdf -rw-rw-r-- root/root 5621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tlc_7md.sdf -rw-rw-r-- root/root 4841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tle_gsu.sdf -rw-rw-r-- root/root 3044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tll_62d.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tlz_amp.sdf -rw-rw-r-- root/root 7087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tm0_b31.sdf -rw-rw-r-- root/root 4807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tmz_06x.sdf -rw-rw-r-- root/root 2426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tn8_f18.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tnl_skm.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tod_xxb.sdf -rw-rw-r-- root/root 3227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tp0_fo5.sdf -rw-rw-r-- root/root 2411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tru_isj.sdf -rw-rw-r-- root/root 6510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tsk_qeg.sdf -rw-rw-r-- root/root 6260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tt0_07j.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tt4_e1s.sdf -rw-rw-r-- root/root 5035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tti_kbi.sdf -rw-rw-r-- root/root 4944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ttj_jbi.sdf -rw-rw-r-- root/root 3503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ttr_lqz.sdf -rw-rw-r-- root/root 3791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ttz_07n.sdf -rw-rw-r-- root/root 4955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tu1_07g.sdf -rw-rw-r-- root/root 3541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tu9_5mm.sdf -rw-rw-r-- root/root 5309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tub_fpu.sdf -rw-rw-r-- root/root 5693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tuc_fpw.sdf -rw-rw-r-- root/root 5619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tud_fpx.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tuh_tuh.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tus_3hb.sdf -rw-rw-r-- root/root 1334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tuw_pza.sdf -rw-rw-r-- root/root 3778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tv4_tv4.sdf -rw-rw-r-- root/root 6432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tv5_rcp.sdf -rw-rw-r-- root/root 4238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tv6_b0r.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tv7_07q.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tv8_dgj.sdf -rw-rw-r-- root/root 5261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tvc_e3p.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tvd_gsp.sdf -rw-rw-r-- root/root 3169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tvq_dqh.sdf -rw-rw-r-- root/root 5933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tvu_b37.sdf -rw-rw-r-- root/root 4939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tvw_07h.sdf -rw-rw-r-- root/root 3463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tvx_pnx.sdf -rw-rw-r-- root/root 2024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tw1_ahn.sdf -rw-rw-r-- root/root 5466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3twd_gob.sdf -rw-rw-r-- root/root 3434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3twj_07r.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3twp_prp.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3twp_sal.sdf -rw-rw-r-- root/root 5236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3twr_pe8.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tws_p6g.sdf -rw-rw-r-- root/root 5850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3twt_2pe.sdf -rw-rw-r-- root/root 1494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tx9_3rn.sdf -rw-rw-r-- root/root 3751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3txo_07u.sdf -rw-rw-r-- root/root 2282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3txz_07v.sdf -rw-rw-r-- root/root 5174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ty0_082.sdf -rw-rw-r-- root/root 2195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ty3_ggg.sdf -rw-rw-r-- root/root 4797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tyl_axw.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tyl_h4b.sdf -rw-rw-r-- root/root 5140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tym_08r.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tym_h4b.sdf -rw-rw-r-- root/root 4880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tyn_cxw.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tyn_h4b.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tyo_dxw.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tyo_h4b.sdf -rw-rw-r-- root/root 4625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tyq_hi4.sdf -rw-rw-r-- root/root 5162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tyv_hi3.sdf -rw-rw-r-- root/root 5669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tz3_b36.sdf -rw-rw-r-- root/root 1823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tz4_03h.sdf -rw-rw-r-- root/root 2265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tz5_clt.sdf -rw-rw-r-- root/root 7776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tz7_aqb.sdf -rw-rw-r-- root/root 8318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tz8_aqm.sdf -rw-rw-r-- root/root 5932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tz9_aqu.sdf -rw-rw-r-- root/root 3148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tza_tzg.sdf -rw-rw-r-- root/root 2442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tzb_aa.sdf -rw-rw-r-- root/root 4786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tzi_acd.sdf -rw-rw-r-- root/root 4190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tzm_085.sdf -rw-rw-r-- root/root 1681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tzs_phu.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tzv_d12.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tzv_hex.sdf -rw-rw-r-- root/root 7771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3tzv_lsc.sdf -rw-rw-r-- root/root 3403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u03_488.sdf -rw-rw-r-- root/root 1612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u0d_dbh.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u0p_hex.sdf -rw-rw-r-- root/root 7771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u0p_lsc.sdf -rw-rw-r-- root/root 3090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u0p_und.sdf -rw-rw-r-- root/root 2866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u0x_gti.sdf -rw-rw-r-- root/root 3907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u15_03m.sdf -rw-rw-r-- root/root 8110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u18_y0x.sdf -rw-rw-r-- root/root 6121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u1y_03i.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u2c_suz.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u2d_08b.sdf -rw-rw-r-- root/root 4134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u2k_087.sdf -rw-rw-r-- root/root 4037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u2o_03u.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u2v_udp.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u2w_glc.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u2w_udp.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u2x_aso.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u2x_udp.sdf -rw-rw-r-- root/root 3803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u2z_07t.sdf -rw-rw-r-- root/root 1388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u3h_03w.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u3h_mrd.sdf -rw-rw-r-- root/root 1789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u3k_03v.sdf -rw-rw-r-- root/root 1817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u3o_3qv.sdf -rw-rw-r-- root/root 5252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u4h_c8r.sdf -rw-rw-r-- root/root 5325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u4i_cvr.sdf -rw-rw-r-- root/root 3993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u4o_08e.sdf -rw-rw-r-- root/root 5972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u4r_08f.sdf -rw-rw-r-- root/root 1772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u4s_08p.sdf -rw-rw-r-- root/root 4974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u4u_lnh.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u4x_xmm.sdf -rw-rw-r-- root/root 6453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u57_dh8.sdf -rw-rw-r-- root/root 3365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u5k_08j.sdf -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u5l_08k.sdf -rw-rw-r-- root/root 4621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u5y_scg.sdf -rw-rw-r-- root/root 4043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u6a_18p.sdf -rw-rw-r-- root/root 5858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u6h_03x.sdf -rw-rw-r-- root/root 6137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u6i_044.sdf -rw-rw-r-- root/root 5858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u6j_03x.sdf -rw-rw-r-- root/root 6184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u6t_kan.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u6z_ade.sdf -rw-rw-r-- root/root 1432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u72_isz.sdf -rw-rw-r-- root/root 7778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u78_e67.sdf -rw-rw-r-- root/root 5827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u7k_mdb.sdf -rw-rw-r-- root/root 5493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u7l_udb.sdf -rw-rw-r-- root/root 4940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u7m_fhf.sdf -rw-rw-r-- root/root 5106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u7n_uhf.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u87_anp.sdf -rw-rw-r-- root/root 2187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u88_ggb.sdf -rw-rw-r-- root/root 5164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u8d_u8d.sdf -rw-rw-r-- root/root 5296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u8f_fgm.sdf -rw-rw-r-- root/root 2554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u8j_09o.sdf -rw-rw-r-- root/root 3167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u8k_09p.sdf -rw-rw-r-- root/root 3463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u8l_09q.sdf -rw-rw-r-- root/root 2565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u8m_09r.sdf -rw-rw-r-- root/root 3178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u8n_09s.sdf -rw-rw-r-- root/root 2197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u8q_npu.sdf -rw-rw-r-- root/root 4966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u8w_09j.sdf -rw-rw-r-- root/root 1922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u96_csn.sdf -rw-rw-r-- root/root 2193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u9c_04g.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u9f_clm.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u9n_09h.sdf -rw-rw-r-- root/root 5056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3u9y_09l.sdf -rw-rw-r-- root/root 7506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ua1_08y.sdf -rw-rw-r-- root/root 4807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ua5_06x.sdf -rw-rw-r-- root/root 4003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ua8_08w.sdf -rw-rw-r-- root/root 4640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ua9_iwr.sdf -rw-rw-r-- root/root 7695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uag_uma.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uan_a3p.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ub5_atp.sdf -rw-rw-r-- root/root 1780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uba_hc4.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uc5_atp.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ucd_pep.sdf -rw-rw-r-- root/root 6639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ud5_j1a.sdf -rw-rw-r-- root/root 4419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3udd_34m.sdf -rw-rw-r-- root/root 7325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ude_j1b.sdf -rw-rw-r-- root/root 6351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3udl_kli.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3udn_09b.sdf -rw-rw-r-- root/root 4338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3udp_09d.sdf -rw-rw-r-- root/root 4519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3udq_09e.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uds_adp.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3udt_5my.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3udt_adp.sdf -rw-rw-r-- root/root 7252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3udv_j1c.sdf -rw-rw-r-- root/root 3982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3udy_09g.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3udz_adp.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3udz_ihp.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ue4_db8.sdf -rw-rw-r-- root/root 4217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ue8_09m.sdf -rw-rw-r-- root/root 4062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ueq_otu.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ueu_dao.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uex_ste.sdf -rw-rw-r-- root/root 3180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uf9_fst.sdf -rw-rw-r-- root/root 6154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ufl_508.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ufo_h4b.sdf -rw-rw-r-- root/root 5140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ufo_hw4.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ufq_h4b.sdf -rw-rw-r-- root/root 4974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ufq_hw5.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ufr_h4b.sdf -rw-rw-r-- root/root 4714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ufr_h5w.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ufs_h4b.sdf -rw-rw-r-- root/root 5151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ufs_hw6.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uft_h4b.sdf -rw-rw-r-- root/root 4985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uft_hw7.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ufu_h4b.sdf -rw-rw-r-- root/root 5046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ufu_hw8.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ufw_h4b.sdf -rw-rw-r-- root/root 5223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ufw_hw0.sdf -rw-rw-r-- root/root 2848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ufy_npx.sdf -rw-rw-r-- root/root 6475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ugc_046.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uh0_tsb.sdf -rw-rw-r-- root/root 3585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uh2_p34.sdf -rw-rw-r-- root/root 2993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uh4_xav.sdf -rw-rw-r-- root/root 4092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uhm_rfn.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ui7_c1l.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uil_dao.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uim_anp.sdf -rw-rw-r-- root/root 2545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uiv_308.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uiv_myr.sdf -rw-rw-r-- root/root 3665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uix_q17.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ujr_2pg.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ujs_0v5.sdf -rw-rw-r-- root/root 1514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ujs_xsp.sdf -rw-rw-r-- root/root 1818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uk4_xxd.sdf -rw-rw-r-- root/root 5011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uli_1n3.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3um5_cp6.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3um6_1cy.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3um8_1cy.sdf -rw-rw-r-- root/root 1295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3umq_bua.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3umr_gdp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ums_gdp.sdf -rw-rw-r-- root/root 4681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3umw_596.sdf -rw-rw-r-- root/root 4847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3umx_q18.sdf -rw-rw-r-- root/root 528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3unc_mos.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3unc_mte.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3unc_sal.sdf -rw-rw-r-- root/root 3445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3unz_0bz.sdf -rw-rw-r-- root/root 4343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uo4_0c0.sdf -rw-rw-r-- root/root 3436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uo5_0bx.sdf -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uo6_0by.sdf -rw-rw-r-- root/root 3727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uod_0c3.sdf -rw-rw-r-- root/root 3445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uoh_0c4.sdf -rw-rw-r-- root/root 3539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uoj_0c5.sdf -rw-rw-r-- root/root 3456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uok_0c6.sdf -rw-rw-r-- root/root 3646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uol_0c7.sdf -rw-rw-r-- root/root 4376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uon_qnb.sdf -rw-rw-r-- root/root 3821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3up2_0c8.sdf -rw-rw-r-- root/root 3716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3up7_0c9.sdf -rw-rw-r-- root/root 6700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3upe_0ca.sdf -rw-rw-r-- root/root 4985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uph_0c1.sdf -rw-rw-r-- root/root 5245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3upi_0c2.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3upj_u03.sdf -rw-rw-r-- root/root 6009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3upk_ud1.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3upq_zan.sdf -rw-rw-r-- root/root 3587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3upr_1kx.sdf -rw-rw-r-- root/root 1249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uq2_ppv.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uq8_nad.sdf -rw-rw-r-- root/root 4306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uqf_bk5.sdf -rw-rw-r-- root/root 3030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uqg_b5a.sdf -rw-rw-r-- root/root 4820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ur4_0bw.sdf -rw-rw-r-- root/root 1821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ur5_dpf.sdf -rw-rw-r-- root/root 1821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3urb_dpf.sdf -rw-rw-r-- root/root 1699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3urk_0cg.sdf -rw-rw-r-- root/root 2365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3urn_qmp.sdf -rw-rw-r-- root/root 2365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3urq_qmp.sdf -rw-rw-r-- root/root 1971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3usd_idl.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3usf_hoz.sdf -rw-rw-r-- root/root 2484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3usf_plr.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3usx_myr.sdf -rw-rw-r-- root/root 4210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ut3_emj.sdf -rw-rw-r-- root/root 4897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ut5_loc.sdf -rw-rw-r-- root/root 2219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3utc_0jx.sdf -rw-rw-r-- root/root 2479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3utd_0cj.sdf -rw-rw-r-- root/root 2127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uu1_14b.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uu1_prp.sdf -rw-rw-r-- root/root 9416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uu5_plc.sdf -rw-rw-r-- root/root 9416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uu6_plc.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uuo_0cv.sdf -rw-rw-r-- root/root 6264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uuz_0cb.sdf -rw-rw-r-- root/root 1950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uv3_0cm.sdf -rw-rw-r-- root/root 2385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uv6_0ch.sdf -rw-rw-r-- root/root 1959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uv7_0cn.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uvc_0d2.sdf -rw-rw-r-- root/root 1489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uvd_mb3.sdf -rw-rw-r-- root/root 4594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uvp_048.sdf -rw-rw-r-- root/root 3237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uvv_t3.sdf -rw-rw-r-- root/root 2433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uwe_vjj.sdf -rw-rw-r-- root/root 2610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uwk_0df.sdf -rw-rw-r-- root/root 3855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uwl_foz.sdf -rw-rw-r-- root/root 2219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uwm_0k2.sdf -rw-rw-r-- root/root 5396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uwn_uwn.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uwo_0dj.sdf -rw-rw-r-- root/root 3062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uwp_5id.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uwu_g3p.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uwv_2pg.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uww_3pg.sdf -rw-rw-r-- root/root 1755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uwz_g2h.sdf -rw-rw-r-- root/root 6795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ux0_0dv.sdf -rw-rw-r-- root/root 1382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uxd_0cu.sdf -rw-rw-r-- root/root 2907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uxe_465.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uxh_uxh.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uxk_bho.sdf -rw-rw-r-- root/root 1524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uxl_cfi.sdf -rw-rw-r-- root/root 2760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uxm_0dn.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uxv_gun.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uyt_0ck.sdf -rw-rw-r-- root/root 3320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uza_t4g.sdf -rw-rw-r-- root/root 2988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uzc_t4e.sdf -rw-rw-r-- root/root 4745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uzx_aom.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uzx_aox.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uzy_bdt.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uzz_asd.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3uzz_tes.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v00_gdp.sdf -rw-rw-r-- root/root 3876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v01_3v0.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v01_atp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v04_atp.sdf -rw-rw-r-- root/root 3606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v04_v04.sdf -rw-rw-r-- root/root 6385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v0l_2gw.sdf -rw-rw-r-- root/root 4520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v0m_5gw.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v0m_bhe.sdf -rw-rw-r-- root/root 4447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v0n_4gw.sdf -rw-rw-r-- root/root 4447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v0o_4gw.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v0o_bhe.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v0q_bhe.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v0q_udp.sdf -rw-rw-r-- root/root 1600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v0r_0fu.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v14_tre.sdf -rw-rw-r-- root/root 1060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v1k_mla.sdf -rw-rw-r-- root/root 2355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v1m_hpk.sdf -rw-rw-r-- root/root 2295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v1r_jth.sdf -rw-rw-r-- root/root 2223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v1s_0lh.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v1v_gst.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v1x_0fv.sdf -rw-rw-r-- root/root 4474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v2y_ml5.sdf -rw-rw-r-- root/root 2827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v35_nti.sdf -rw-rw-r-- root/root 5678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v3m_0en.sdf -rw-rw-r-- root/root 5274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v3q_tmy.sdf -rw-rw-r-- root/root 3095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v3v_myu.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v3x_mtn.sdf -rw-rw-r-- root/root 3894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v49_pk0.sdf -rw-rw-r-- root/root 3521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v4a_pk1.sdf -rw-rw-r-- root/root 6009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v4t_ud1.sdf -rw-rw-r-- root/root 1545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v5a_abu.sdf -rw-rw-r-- root/root 5635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v5j_0f2.sdf -rw-rw-r-- root/root 5127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v5l_0g1.sdf -rw-rw-r-- root/root 5267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v5q_0f4.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v5u_olc.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v5v_pge.sdf -rw-rw-r-- root/root 4041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v5w_8pr.sdf -rw-rw-r-- root/root 6274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v66_d3a.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v6h_dcp.sdf -rw-rw-r-- root/root 5269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v7t_0gx.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v7u_mta.sdf -rw-rw-r-- root/root 3173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v7w_zas.sdf -rw-rw-r-- root/root 4110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v7x_d7a.sdf -rw-rw-r-- root/root 3490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v7y_a3n.sdf -rw-rw-r-- root/root 2553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v7z_gem.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v80_aoc.sdf -rw-rw-r-- root/root 6492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v8d_0gv.sdf -rw-rw-r-- root/root 3109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v8m_z8b.sdf -rw-rw-r-- root/root 4687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v8n_5ci.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v8n_5nb.sdf -rw-rw-r-- root/root 6549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v8p_znb.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v8q_5n5.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v8r_5nb.sdf -rw-rw-r-- root/root 3414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v8s_0hd.sdf -rw-rw-r-- root/root 4146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v8t_477.sdf -rw-rw-r-- root/root 4773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v8w_0g2.sdf -rw-rw-r-- root/root 6152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v9b_ihm.sdf -rw-rw-r-- root/root 6036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3v9t_17l.sdf -rw-rw-r-- root/root 1734 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vad_0f1.sdf -rw-rw-r-- root/root 6590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vap_0fy.sdf -rw-rw-r-- root/root 3907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vbg_03m.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vbq_0f5.sdf -rw-rw-r-- root/root 2361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vby_0fr.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vc1_gst.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vc2_gpp.sdf -rw-rw-r-- root/root 2287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vc4_0fs.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vdf_api.sdf -rw-rw-r-- root/root 2514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3veh_0ga.sdf -rw-rw-r-- root/root 4553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vev_0h4.sdf -rw-rw-r-- root/root 2968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vey_0h5.sdf -rw-rw-r-- root/root 5012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vf3_0gs.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vf6_0h6.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vf8_0je.sdf -rw-rw-r-- root/root 4146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vf9_477.sdf -rw-rw-r-- root/root 5766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vfe_0hl.sdf -rw-rw-r-- root/root 3297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vgc_srb.sdf -rw-rw-r-- root/root 1464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vgn_fnn.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vgw_nvz.sdf -rw-rw-r-- root/root 1712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vh9_hqy.sdf -rw-rw-r-- root/root 4397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vha_vha.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vhc_vhc.sdf -rw-rw-r-- root/root 4548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vhd_vhe.sdf -rw-rw-r-- root/root 4371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vhe_42q.sdf -rw-rw-r-- root/root 3440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vhh_vhh.sdf -rw-rw-r-- root/root 4371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vhi_vhi.sdf -rw-rw-r-- root/root 3583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vhk_bpk.sdf -rw-rw-r-- root/root 5151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vhm_npk.sdf -rw-rw-r-- root/root 3650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vhv_ld1.sdf -rw-rw-r-- root/root 8118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vhw_vhw.sdf -rw-rw-r-- root/root 4357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vi5_m4m.sdf -rw-rw-r-- root/root 6587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vi7_cbd.sdf -rw-rw-r-- root/root 5655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vi8_13m.sdf -rw-rw-r-- root/root 2794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vid_4tt.sdf -rw-rw-r-- root/root 8536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vjc_zga.sdf -rw-rw-r-- root/root 8536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vje_zga.sdf -rw-rw-r-- root/root 4894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vjh_j35.sdf -rw-rw-r-- root/root 7264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vji_j53.sdf -rw-rw-r-- root/root 5440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vjk_m51.sdf -rw-rw-r-- root/root 5556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vjl_w94.sdf -rw-rw-r-- root/root 5296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vjm_w61.sdf -rw-rw-r-- root/root 3237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vkx_t3.sdf -rw-rw-r-- root/root 3119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vlj_ddj.sdf -rw-rw-r-- root/root 1690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vll_sha.sdf -rw-rw-r-- root/root 2761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vm6_ri2.sdf -rw-rw-r-- root/root 6298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vn2_tls.sdf -rw-rw-r-- root/root 4424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vn9_ank.sdf -rw-rw-r-- root/root 3718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vng_fuu.sdf -rw-rw-r-- root/root 2185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vnj_psj.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vnk_fud.sdf -rw-rw-r-- root/root 2185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vnl_tag.sdf -rw-rw-r-- root/root 2185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vnm_sdd.sdf -rw-rw-r-- root/root 5292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vnt_0ja.sdf -rw-rw-r-- root/root 4881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vo3_0kf.sdf -rw-rw-r-- root/root 5405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vp1_04a.sdf -rw-rw-r-- root/root 1513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vp2_bp0.sdf -rw-rw-r-- root/root 1678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vp3_bp8.sdf -rw-rw-r-- root/root 1419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vp4_bp9.sdf -rw-rw-r-- root/root 2663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vq5_mmj.sdf -rw-rw-r-- root/root 2414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vqe_fmq.sdf -rw-rw-r-- root/root 6470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vqs_jt1.sdf -rw-rw-r-- root/root 3396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vqu_o22.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vr3_anp.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vr4_b3p.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vrh_bcn.sdf -rw-rw-r-- root/root 3587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vri_1kx.sdf -rw-rw-r-- root/root 3587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vrj_1kx.sdf -rw-rw-r-- root/root 5792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vrt_ys2.sdf -rw-rw-r-- root/root 6324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vru_ys3.sdf -rw-rw-r-- root/root 6844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vrv_ysd.sdf -rw-rw-r-- root/root 7884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vrw_ys5.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vry_b43.sdf -rw-rw-r-- root/root 5298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vrz_vrz.sdf -rw-rw-r-- root/root 4858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vs0_vs0.sdf -rw-rw-r-- root/root 5038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vs1_vsa.sdf -rw-rw-r-- root/root 6351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vs2_vsb.sdf -rw-rw-r-- root/root 6351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vs3_vse.sdf -rw-rw-r-- root/root 4684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vs4_vsf.sdf -rw-rw-r-- root/root 5027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vs5_vsg.sdf -rw-rw-r-- root/root 4987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vs6_vsh.sdf -rw-rw-r-- root/root 3797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vs7_ks1.sdf -rw-rw-r-- root/root 1552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vsi_4nc.sdf -rw-rw-r-- root/root 1583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vsj_2xp.sdf -rw-rw-r-- root/root 6258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vso_ek1.sdf -rw-rw-r-- root/root 6839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vsp_ek8.sdf -rw-rw-r-- root/root 7657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vsw_r31.sdf -rw-rw-r-- root/root 6961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vsx_r32.sdf -rw-rw-r-- root/root 6572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vt3_vdx.sdf -rw-rw-r-- root/root 6866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vt4_5yi.sdf -rw-rw-r-- root/root 6866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vt5_yi2.sdf -rw-rw-r-- root/root 6866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vt6_5yi.sdf -rw-rw-r-- root/root 7530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vt8_yi3.sdf -rw-rw-r-- root/root 7552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vt9_yi4.sdf -rw-rw-r-- root/root 7873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vtb_tka.sdf -rw-rw-r-- root/root 8133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vtc_tk3.sdf -rw-rw-r-- root/root 8133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vtd_tkd.sdf -rw-rw-r-- root/root 1999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vu8_mds.sdf -rw-rw-r-- root/root 7529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vuc_hhe.sdf -rw-rw-r-- root/root 5838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vuz_k15.sdf -rw-rw-r-- root/root 6535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vv0_kh3.sdf -rw-rw-r-- root/root 4298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vv7_0b1.sdf -rw-rw-r-- root/root 4418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vva_chw.sdf -rw-rw-r-- root/root 3703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vvh_4bm.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vvh_atp.sdf -rw-rw-r-- root/root 4398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vw6_im6.sdf -rw-rw-r-- root/root 6262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vw7_vpx.sdf -rw-rw-r-- root/root 5222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vw8_df6.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vw9_hpj.sdf -rw-rw-r-- root/root 12039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vwj_db3.sdf -rw-rw-r-- root/root 13744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vwk_4gh.sdf -rw-rw-r-- root/root 6087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vyd_vyd.sdf -rw-rw-r-- root/root 5828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vye_vye.sdf -rw-rw-r-- root/root 6868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vyf_vyf.sdf -rw-rw-r-- root/root 5106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vzb_sqs.sdf -rw-rw-r-- root/root 2896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vzc_uul.sdf -rw-rw-r-- root/root 6357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vzv_vzv.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3vzz_fps.sdf -rw-rw-r-- root/root 6495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w0a_ds5.sdf -rw-rw-r-- root/root 6664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w0c_6ds.sdf -rw-rw-r-- root/root 5638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w0g_w07.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w0h_w12.sdf -rw-rw-r-- root/root 6158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w0i_o11.sdf -rw-rw-r-- root/root 6158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w0j_t08.sdf -rw-rw-r-- root/root 3782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w0t_hpu.sdf -rw-rw-r-- root/root 4501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w0u_hpw.sdf -rw-rw-r-- root/root 6618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w0y_ds4.sdf -rw-rw-r-- root/root 3962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w10_ro9.sdf -rw-rw-r-- root/root 4837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w18_n13.sdf -rw-rw-r-- root/root 1454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w1a_fot.sdf -rw-rw-r-- root/root 4575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w1f_1o5.sdf -rw-rw-r-- root/root 1462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w1l_hro.sdf -rw-rw-r-- root/root 1462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w1m_rro.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w1n_iro.sdf -rw-rw-r-- root/root 1806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w1p_ero.sdf -rw-rw-r-- root/root 3012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w1q_yro.sdf -rw-rw-r-- root/root 2881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w1r_mro.sdf -rw-rw-r-- root/root 3174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w1t_wro.sdf -rw-rw-r-- root/root 3141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w1u_lro.sdf -rw-rw-r-- root/root 3246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w1x_xro.sdf -rw-rw-r-- root/root 3921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w22_2ro.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w23_3ro.sdf -rw-rw-r-- root/root 5214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w2c_n15.sdf -rw-rw-r-- root/root 2903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w2j_qro.sdf -rw-rw-r-- root/root 3152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w2k_kro.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w2l_vro.sdf -rw-rw-r-- root/root 3174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w2m_zro.sdf -rw-rw-r-- root/root 3174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w2n_rod.sdf -rw-rw-r-- root/root 5747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w2o_03p.sdf -rw-rw-r-- root/root 6629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w2r_w2r.sdf -rw-rw-r-- root/root 6629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w2s_w2r.sdf -rw-rw-r-- root/root 3467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w2u_rou.sdf -rw-rw-r-- root/root 5692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w32_w32.sdf -rw-rw-r-- root/root 5246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w33_w19.sdf -rw-rw-r-- root/root 2949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w3j_c09.sdf -rw-rw-r-- root/root 2772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w3k_l07.sdf -rw-rw-r-- root/root 4082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w3l_rx8.sdf -rw-rw-r-- root/root 3790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w3o_roe.sdf -rw-rw-r-- root/root 1245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w4i_8lg.sdf -rw-rw-r-- root/root 2673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w4j_2ld.sdf -rw-rw-r-- root/root 2590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w4k_3ld.sdf -rw-rw-r-- root/root 4062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w54_rnb.sdf -rw-rw-r-- root/root 4367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w55_1fm.sdf -rw-rw-r-- root/root 11403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w5c_pty.sdf -rw-rw-r-- root/root 5534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w5e_nvw.sdf -rw-rw-r-- root/root 5973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w5p_4oa.sdf -rw-rw-r-- root/root 5807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w5q_3kl.sdf -rw-rw-r-- root/root 6421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w5r_loa.sdf -rw-rw-r-- root/root 6681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w5t_lhp.sdf -rw-rw-r-- root/root 7153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w68_viv.sdf -rw-rw-r-- root/root 8119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w69_ltz.sdf -rw-rw-r-- root/root 3718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w6y_w6y.sdf -rw-rw-r-- root/root 3876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w70_w70.sdf -rw-rw-r-- root/root 3782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w71_w7a.sdf -rw-rw-r-- root/root 3428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w72_w7b.sdf -rw-rw-r-- root/root 3983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w73_w73.sdf -rw-rw-r-- root/root 3260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w74_w74.sdf -rw-rw-r-- root/root 3581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w75_w75.sdf -rw-rw-r-- root/root 3227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w76_w76.sdf -rw-rw-r-- root/root 3790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7c_w7c.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7d_w7d.sdf -rw-rw-r-- root/root 3790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7e_w7f.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7f_fps.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7g_w7g.sdf -rw-rw-r-- root/root 3436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7h_w7h.sdf -rw-rw-r-- root/root 3790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7i_w7i.sdf -rw-rw-r-- root/root 3710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7j_w7j.sdf -rw-rw-r-- root/root 4144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7k_w7k.sdf -rw-rw-r-- root/root 3790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7l_w7l.sdf -rw-rw-r-- root/root 3978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7m_w7m.sdf -rw-rw-r-- root/root 4415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7n_w7n.sdf -rw-rw-r-- root/root 3163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7o_w7o.sdf -rw-rw-r-- root/root 3163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7p_w7p.sdf -rw-rw-r-- root/root 4747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7q_w7q.sdf -rw-rw-r-- root/root 3645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7r_ddq.sdf -rw-rw-r-- root/root 3782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w7r_w7a.sdf -rw-rw-r-- root/root 4144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w83_w83.sdf -rw-rw-r-- root/root 4144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w84_w8z.sdf -rw-rw-r-- root/root 3423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w85_w85.sdf -rw-rw-r-- root/root 3943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w86_w86.sdf -rw-rw-r-- root/root 4498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w87_w87.sdf -rw-rw-r-- root/root 4238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w88_w88.sdf -rw-rw-r-- root/root 5236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w9b_pe8.sdf -rw-rw-r-- root/root 7999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3w9h_p9d.sdf -rw-rw-r-- root/root 2603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wab_ddw.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3war_nio.sdf -rw-rw-r-- root/root 3425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wav_dwv.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3waw_dww.sdf -rw-rw-r-- root/root 4699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wax_dwx.sdf -rw-rw-r-- root/root 4699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3way_dwy.sdf -rw-rw-r-- root/root 5502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wb0_feg.sdf -rw-rw-r-- root/root 4959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wb2_ygp.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wbg_2an.sdf -rw-rw-r-- root/root 2612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wc5_ddk.sdf -rw-rw-r-- root/root 5708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wc7_ef1.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wc9_fps.sdf -rw-rw-r-- root/root 2964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wcd_rwy.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wcf_bh8.sdf -rw-rw-r-- root/root 5046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wch_8ph.sdf -rw-rw-r-- root/root 6346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wci_bh5.sdf -rw-rw-r-- root/root 5719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wcj_e5s.sdf -rw-rw-r-- root/root 6252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wcl_bh3.sdf -rw-rw-r-- root/root 5435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wcm_er4.sdf -rw-rw-r-- root/root 8407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wd1_st7.sdf -rw-rw-r-- root/root 6061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wd2_a1l.sdf -rw-rw-r-- root/root 6061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wd4_a1l.sdf -rw-rw-r-- root/root 2587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wd4_qub.sdf -rw-rw-r-- root/root 5251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wd9_qpc.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wef_fps.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3weg_fps.sdf -rw-rw-r-- root/root 8069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3weh_ps7.sdf -rw-rw-r-- root/root 8069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wei_ps7.sdf -rw-rw-r-- root/root 8069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wej_ps7.sdf -rw-rw-r-- root/root 8069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wek_ps7.sdf -rw-rw-r-- root/root 4360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wez_n8v.sdf -rw-rw-r-- root/root 3343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wf0_6dj.sdf -rw-rw-r-- root/root 3436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wf1_6gj.sdf -rw-rw-r-- root/root 3589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wf2_ndj.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wf5_fz8.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wf6_fz9.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wf7_fs9.sdf -rw-rw-r-- root/root 5042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wf8_f76.sdf -rw-rw-r-- root/root 5302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wf9_fs7.sdf -rw-rw-r-- root/root 3272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wfa_edt.sdf -rw-rw-r-- root/root 3380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wff_wff.sdf -rw-rw-r-- root/root 3629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wfg_wfg.sdf -rw-rw-r-- root/root 5178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wg8_6as.sdf -rw-rw-r-- root/root 7538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wgp_ed9.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wgt_fad.sdf -rw-rw-r-- root/root 1845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wgt_qsc.sdf -rw-rw-r-- root/root 3303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wgw_t2b.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wh0_dtt.sdf -rw-rw-r-- root/root 3770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wh0_o4b.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wha_wha.sdf -rw-rw-r-- root/root 4858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wi2_p98.sdf -rw-rw-r-- root/root 3396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wi6_yrz.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wig_anp.sdf -rw-rw-r-- root/root 4712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wig_chu.sdf -rw-rw-r-- root/root 2475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wik_lct.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wil_lcd.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wio_h3m.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wip_1pe.sdf -rw-rw-r-- root/root 2351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wip_ach.sdf -rw-rw-r-- root/root 5245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wix_lc3.sdf -rw-rw-r-- root/root 9921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wiy_lc6.sdf -rw-rw-r-- root/root 9921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wiz_lc6.sdf -rw-rw-r-- root/root 3401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wjw_u6m.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wjx_nup.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wjy_nup.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wjz_nup.sdf -rw-rw-r-- root/root 3682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wk0_o7m.sdf -rw-rw-r-- root/root 3941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wk1_o7e.sdf -rw-rw-r-- root/root 3682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wk2_o7m.sdf -rw-rw-r-- root/root 3941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wk3_o7e.sdf -rw-rw-r-- root/root 2828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wk4_s0a.sdf -rw-rw-r-- root/root 2568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wk5_s0c.sdf -rw-rw-r-- root/root 2828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wk6_s0b.sdf -rw-rw-r-- root/root 2343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wk7_s0d.sdf -rw-rw-r-- root/root 1821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wk8_s0e.sdf -rw-rw-r-- root/root 2153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wk9_s0f.sdf -rw-rw-r-- root/root 2922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wka_s0g.sdf -rw-rw-r-- root/root 2957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wkb_s0i.sdf -rw-rw-r-- root/root 3466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wkc_s0j.sdf -rw-rw-r-- root/root 3311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wkd_s0k.sdf -rw-rw-r-- root/root 5605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wke_aub.sdf -rw-rw-r-- root/root 5885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wlu_lse.sdf -rw-rw-r-- root/root 5844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wmh_jja.sdf -rw-rw-r-- root/root 3132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wn4_d87.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wnz_adp.sdf -rw-rw-r-- root/root 5617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wo2_cps.sdf -rw-rw-r-- root/root 4810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wqh_skk.sdf -rw-rw-r-- root/root 4439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wqm_b29.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wqq_ib3.sdf -rw-rw-r-- root/root 3451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wqr_lsx.sdf -rw-rw-r-- root/root 3285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wqs_kbk.sdf -rw-rw-r-- root/root 4504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ws8_x4c.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ws9_x4d.sdf -rw-rw-r-- root/root 5522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wsa_rwz.sdf -rw-rw-r-- root/root 8251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wsj_mk1.sdf -rw-rw-r-- root/root 4951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wsp_w09.sdf -rw-rw-r-- root/root 7614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wt5_ya1.sdf -rw-rw-r-- root/root 7875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wt7_ya2.sdf -rw-rw-r-- root/root 2545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wth_im4.sdf -rw-rw-r-- root/root 2168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wti_ct4.sdf -rw-rw-r-- root/root 2342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wtj_th4.sdf -rw-rw-r-- root/root 2342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wtk_th4.sdf -rw-rw-r-- root/root 2620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wtl_n1y.sdf -rw-rw-r-- root/root 2620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wtm_n1y.sdf -rw-rw-r-- root/root 2315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wtn_n2y.sdf -rw-rw-r-- root/root 2315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wto_n2y.sdf -rw-rw-r-- root/root 7615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wtq_ys9.sdf -rw-rw-r-- root/root 5326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wv1_whh.sdf -rw-rw-r-- root/root 3510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wv2_wgg.sdf -rw-rw-r-- root/root 3250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wv3_wll.sdf -rw-rw-r-- root/root 5502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wvc_feg.sdf -rw-rw-r-- root/root 5501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wvc_zgp.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wvm_ste.sdf -rw-rw-r-- root/root 7661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wwr_3aj.sdf -rw-rw-r-- root/root 3121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wxc_c93.sdf -rw-rw-r-- root/root 2623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wyc_nes.sdf -rw-rw-r-- root/root 8766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wyj_h78.sdf -rw-rw-r-- root/root 3828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wyk_3kg.sdf -rw-rw-r-- root/root 4182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wyl_3kb.sdf -rw-rw-r-- root/root 4549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wym_3k9.sdf -rw-rw-r-- root/root 3014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wyp_bso.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wyp_btn.sdf -rw-rw-r-- root/root 5187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wyx_o38.sdf -rw-rw-r-- root/root 6780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wyy_o17.sdf -rw-rw-r-- root/root 5282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wz6_ixz.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wz6_pg4.sdf -rw-rw-r-- root/root 5909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wz7_ixy.sdf -rw-rw-r-- root/root 5282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wz8_ixv.sdf -rw-rw-r-- root/root 4513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wzd_lev.sdf -rw-rw-r-- root/root 4441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wze_bax.sdf -rw-rw-r-- root/root 6523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wzj_o43.sdf -rw-rw-r-- root/root 4326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wzk_o23.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wzo_zoe.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wzp_zof.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wzq_zof.sdf -rw-rw-r-- root/root 4367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3wzu_1fm.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3x1w_gdp.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3x1z_gnp.sdf -rw-rw-r-- root/root 6481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3x31_41v.sdf -rw-rw-r-- root/root 6481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3x36_41w.sdf -rw-rw-r-- root/root 3920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3x44_pus.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ypi_pgh.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zbf_vgh.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zbx_6xe.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zc5_w9z.sdf -rw-rw-r-- root/root 4809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zc6_vfc.sdf -rw-rw-r-- root/root 3947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zcl_5tf.sdf -rw-rw-r-- root/root 5825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zcm_px3.sdf -rw-rw-r-- root/root 4123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zcv_n85.sdf -rw-rw-r-- root/root 4639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zcw_4a2.sdf -rw-rw-r-- root/root 2946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zdg_xrx.sdf -rw-rw-r-- root/root 2970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zdh_xrs.sdf -rw-rw-r-- root/root 2844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zdi_ugj.sdf -rw-rw-r-- root/root 4400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zdu_38r.sdf -rw-rw-r-- root/root 4619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zdw_ebs.sdf -rw-rw-r-- root/root 5120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zep_1nx.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zew_stu.sdf -rw-rw-r-- root/root 4877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zg2_udo.sdf -rw-rw-r-- root/root 4887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zg3_udd.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zgf_udp.sdf -rw-rw-r-- root/root 6945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zgg_iug.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zgo_pge.sdf -rw-rw-r-- root/root 5080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zgz_84t.sdf -rw-rw-r-- root/root 5015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zh8_c58.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zhr_tpp.sdf -rw-rw-r-- root/root 5285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zhs_td6.sdf -rw-rw-r-- root/root 5545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zht_td9.sdf -rw-rw-r-- root/root 5545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zhu_td8.sdf -rw-rw-r-- root/root 4743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zhv_tdw.sdf -rw-rw-r-- root/root 3766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zhx_fm6.sdf -rw-rw-r-- root/root 3766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zhy_fm6.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zhy_ndp.sdf -rw-rw-r-- root/root 5142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zhz_fm7.sdf -rw-rw-r-- root/root 4589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zi0_fm8.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zi4_bg6.sdf -rw-rw-r-- root/root 557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zi4_sfl.sdf -rw-rw-r-- root/root 3861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zj6_vm2.sdf -rw-rw-r-- root/root 3607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zj7_c1k.sdf -rw-rw-r-- root/root 3379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zj8_lr1.sdf -rw-rw-r-- root/root 5514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zk5_z18.sdf -rw-rw-r-- root/root 6474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zk6_h1i.sdf -rw-rw-r-- root/root 4678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zkn_wzv.sdf -rw-rw-r-- root/root 10354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zkp_erb.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zku_hcv.sdf -rw-rw-r-- root/root 4474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zky_wt4.sdf -rw-rw-r-- root/root 3296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zl2_bwg.sdf -rw-rw-r-- root/root 4444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zln_h0y.sdf -rw-rw-r-- root/root 6125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zlo_x8u.sdf -rw-rw-r-- root/root 4407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zlq_6t9.sdf -rw-rw-r-- root/root 6390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zlr_x0b.sdf -rw-rw-r-- root/root 1977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zls_92p.sdf -rw-rw-r-- root/root 1815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zlt_pg0.sdf -rw-rw-r-- root/root 1389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zlu_1ka.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zlv_hi6.sdf -rw-rw-r-- root/root 2853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zlw_mt8.sdf -rw-rw-r-- root/root 3135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zlx_5ez.sdf -rw-rw-r-- root/root 1725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zly_yso.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zm4_22t.sdf -rw-rw-r-- root/root 6447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zm9_qmq.sdf -rw-rw-r-- root/root 3743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zme_qc5.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zms_fad.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zmt_fad.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zmu_fad.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zmv_fad.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zmz_fad.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zn0_fad.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zn1_fad.sdf -rw-rw-r-- root/root 3984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3znc_bz1.sdf -rw-rw-r-- root/root 1539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3znn_4wl.sdf -rw-rw-r-- root/root 2681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zno_se5.sdf -rw-rw-r-- root/root 1716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3znp_se2.sdf -rw-rw-r-- root/root 2802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3znq_ss8.sdf -rw-rw-r-- root/root 5266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3znr_nu9.sdf -rw-rw-r-- root/root 5607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zns_nu7.sdf -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zo1_sij.sdf -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zo2_15i.sdf -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zo3_qni.sdf -rw-rw-r-- root/root 4566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zo4_qwi.sdf -rw-rw-r-- root/root 4490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zoi_m2w.sdf -rw-rw-r-- root/root 2705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zon_ik1.sdf -rw-rw-r-- root/root 6026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zos_0li.sdf -rw-rw-r-- root/root 2585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zp4_tsa.sdf -rw-rw-r-- root/root 2411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zp7_isj.sdf -rw-rw-r-- root/root 2411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zp7_pre.sdf -rw-rw-r-- root/root 4745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zpo_k0i.sdf -rw-rw-r-- root/root 2759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zpq_xf5.sdf -rw-rw-r-- root/root 3116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zpr_3wc.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zqt_30z.sdf -rw-rw-r-- root/root 2467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zqz_slc.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zr0_8og.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zr7_or8.sdf -rw-rw-r-- root/root 4052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zra_orb.sdf -rw-rw-r-- root/root 4291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zrb_orc.sdf -rw-rw-r-- root/root 2273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zrk_zrk.sdf -rw-rw-r-- root/root 2284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zrl_zrl.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zrm_zrm.sdf -rw-rw-r-- root/root 5973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zs4_1pr.sdf -rw-rw-r-- root/root 4585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zsg_t75.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zsj_lat.sdf -rw-rw-r-- root/root 9761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zsn_miv.sdf -rw-rw-r-- root/root 7088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zso_o2n.sdf -rw-rw-r-- root/root 6605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zsq_o4n.sdf -rw-rw-r-- root/root 7031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zsr_o3n.sdf -rw-rw-r-- root/root 11348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zst_acx.sdf -rw-rw-r-- root/root 6988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zsv_zsv.sdf -rw-rw-r-- root/root 6505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zsw_zsw.sdf -rw-rw-r-- root/root 5406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zsx_n44.sdf -rw-rw-r-- root/root 5716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zsy_om3.sdf -rw-rw-r-- root/root 5089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zsz_om2.sdf -rw-rw-r-- root/root 5572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zt0_zt0.sdf -rw-rw-r-- root/root 5312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zt1_om1.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zt2_zt2.sdf -rw-rw-r-- root/root 3441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zt3_zt4.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zt5_mal.sdf -rw-rw-r-- root/root 11348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zt6_acx.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zt6_mal.sdf -rw-rw-r-- root/root 13225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zt7_bcd.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zt7_mal.sdf -rw-rw-r-- root/root 5299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3ztx_ztx.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zu4_zu4.sdf -rw-rw-r-- root/root 4326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zu5_aew.sdf -rw-rw-r-- root/root 1950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zv5_bpy.sdf -rw-rw-r-- root/root 2246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zv6_4hb.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zv7_1pe.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zv7_nhg.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zvu_a8s.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zw3_zw3.sdf -rw-rw-r-- root/root 2917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zws_avq.sdf -rw-rw-r-- root/root 3177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zwt_kfz.sdf -rw-rw-r-- root/root 5534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zxe_pgz.sdf -rw-rw-r-- root/root 8277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zxg_0sm.sdf -rw-rw-r-- root/root 4944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zxh_e41.sdf -rw-rw-r-- root/root 5312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zxi_tya.sdf -rw-rw-r-- root/root 4126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zxr_iq1.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zxt_acp.sdf -rw-rw-r-- root/root 4740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zxv_mxi.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zxw_cap.sdf -rw-rw-r-- root/root 4088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zxz_krw.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zyf_147.sdf -rw-rw-r-- root/root 2718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zyh_g0s.sdf -rw-rw-r-- root/root 4779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zyu_1gh.sdf -rw-rw-r-- root/root 3948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zze_6xp.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/3zzk_pmp.sdf -rw-rw-r-- root/root 4395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/456c_cbp.sdf -rw-rw-r-- root/root 3454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a00_pp3.sdf -rw-rw-r-- root/root 2190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a03_f98.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a03_ndp.sdf -rw-rw-r-- root/root 2885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a06_a06.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a07_atp.sdf -rw-rw-r-- root/root 3438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a07_az7.sdf -rw-rw-r-- root/root 2693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a0h_kap.sdf -rw-rw-r-- root/root 2975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a0r_dtb.sdf -rw-rw-r-- root/root 5117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a16_h34.sdf -rw-rw-r-- root/root 563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a22_so4.sdf -rw-rw-r-- root/root 3104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a22_td4.sdf -rw-rw-r-- root/root 3041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a23_c56.sdf -rw-rw-r-- root/root 6136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a2j_as0.sdf -rw-rw-r-- root/root 5305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a4l_939.sdf -rw-rw-r-- root/root 5672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a4o_664.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a4v_yfd.sdf -rw-rw-r-- root/root 5575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a4w_yfb.sdf -rw-rw-r-- root/root 5939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a4x_jup.sdf -rw-rw-r-- root/root 4718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a50_dq6.sdf -rw-rw-r-- root/root 4465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a51_dq8.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a55_p08.sdf -rw-rw-r-- root/root 5861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a5s_n7f.sdf -rw-rw-r-- root/root 6343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a5y_g7x.sdf -rw-rw-r-- root/root 2756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a6e_ase.sdf -rw-rw-r-- root/root 2657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a6k_i4d.sdf -rw-rw-r-- root/root 4846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a6l_p43.sdf -rw-rw-r-- root/root 3660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a6s_gs9.sdf -rw-rw-r-- root/root 2467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a6v_iky.sdf -rw-rw-r-- root/root 2184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a6w_5c1.sdf -rw-rw-r-- root/root 5902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a7b_3w4.sdf -rw-rw-r-- root/root 5902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a7b_3w5.sdf -rw-rw-r-- root/root 4335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a7c_e46.sdf -rw-rw-r-- root/root 3027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a7g_12i.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a7i_a7i.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a7q_4mq.sdf -rw-rw-r-- root/root 2696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a7s_5ud.sdf -rw-rw-r-- root/root 2907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a7t_5fw.sdf -rw-rw-r-- root/root 2374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a7u_ale.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a7v_ldp.sdf -rw-rw-r-- root/root 1939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a7y_nhf.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a7z_ay9.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a80_2an.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a81_2an.sdf -rw-rw-r-- root/root 6064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a81_dxc.sdf -rw-rw-r-- root/root 6064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a83_dxc.sdf -rw-rw-r-- root/root 6064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a84_dxc.sdf -rw-rw-r-- root/root 2354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a85_h35.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a86_2an.sdf -rw-rw-r-- root/root 2354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a86_h35.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a87_nar.sdf -rw-rw-r-- root/root 3278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a8g_dmx.sdf -rw-rw-r-- root/root 2530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a8h_puw.sdf -rw-rw-r-- root/root 2807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a8p_pao.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a8u_mrd.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a8v_2an.sdf -rw-rw-r-- root/root 10123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a92_f9k.sdf -rw-rw-r-- root/root 4074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a97_zpc.sdf -rw-rw-r-- root/root 2058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a9e_3pf.sdf -rw-rw-r-- root/root 1489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a9f_mb3.sdf -rw-rw-r-- root/root 2648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a9h_tvp.sdf -rw-rw-r-- root/root 2889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a9i_p9i.sdf -rw-rw-r-- root/root 1853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a9j_tyl.sdf -rw-rw-r-- root/root 1853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a9k_tyl.sdf -rw-rw-r-- root/root 4085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a9m_p9m.sdf -rw-rw-r-- root/root 3399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a9n_a9n.sdf -rw-rw-r-- root/root 2482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a9o_a9o.sdf -rw-rw-r-- root/root 3719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a9r_ru5.sdf -rw-rw-r-- root/root 3802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a9s_ru9.sdf -rw-rw-r-- root/root 4383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a9t_a9t.sdf -rw-rw-r-- root/root 4383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4a9u_a9u.sdf -rw-rw-r-- root/root 5307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aa4_qc0.sdf -rw-rw-r-- root/root 5286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aa5_nqb.sdf -rw-rw-r-- root/root 4468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aa7_r82.sdf -rw-rw-r-- root/root 3824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aaa_dki.sdf -rw-rw-r-- root/root 5224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aac_aav.sdf -rw-rw-r-- root/root 7311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aaw_r84.sdf -rw-rw-r-- root/root 2197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ab7_nlg.sdf -rw-rw-r-- root/root 2446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4abu_ft1.sdf -rw-rw-r-- root/root 2532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4abv_ft2.sdf -rw-rw-r-- root/root 3450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4abw_42m.sdf -rw-rw-r-- root/root 7488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4abz_t1c.sdf -rw-rw-r-- root/root 5450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ac0_miy.sdf -rw-rw-r-- root/root 2790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ac2_43f.sdf -rw-rw-r-- root/root 5425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ac3_r83.sdf -rw-rw-r-- root/root 4927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4acc_7yg.sdf -rw-rw-r-- root/root 5033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4acd_gr9.sdf -rw-rw-r-- root/root 4208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4acf_46b.sdf -rw-rw-r-- root/root 6441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4acg_6lq.sdf -rw-rw-r-- root/root 5341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ach_kdi.sdf -rw-rw-r-- root/root 4519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ae3_aov.sdf -rw-rw-r-- root/root 4160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ael_4hn.sdf -rw-rw-r-- root/root 5555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4af3_vx6.sdf -rw-rw-r-- root/root 5384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4afe_ggy.sdf -rw-rw-r-- root/root 3511 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4afj_sjj.sdf -rw-rw-r-- root/root 1503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4afz_tar.sdf -rw-rw-r-- root/root 1412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ag2_lmr.sdf -rw-rw-r-- root/root 4252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4agc_axi.sdf -rw-rw-r-- root/root 5074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4agd_b49.sdf -rw-rw-r-- root/root 2213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4agl_p84.sdf -rw-rw-r-- root/root 4054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4agm_p86.sdf -rw-rw-r-- root/root 4586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4agn_nxg.sdf -rw-rw-r-- root/root 5986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ago_p74.sdf -rw-rw-r-- root/root 5492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4agp_p51.sdf -rw-rw-r-- root/root 5575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4agq_p96.sdf -rw-rw-r-- root/root 4959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4agu_d15.sdf -rw-rw-r-- root/root 6756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4agw_ng7.sdf -rw-rw-r-- root/root 2104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ai8_dza.sdf -rw-rw-r-- root/root 2104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ai9_dza.sdf -rw-rw-r-- root/root 2575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aiu_gc3.sdf -rw-rw-r-- root/root 2414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aj1_aj1.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aj1_mli.sdf -rw-rw-r-- root/root 1634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aj2_52c.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aj2_mli.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aj3_nap.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aj4_mli.sdf -rw-rw-r-- root/root 3227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aj4_vab.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aja_tap.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajb_tap.sdf -rw-rw-r-- root/root 2403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajd_f04.sdf -rw-rw-r-- root/root 2069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aje_2b4.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aje_mli.sdf -rw-rw-r-- root/root 2248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajf_f03.sdf -rw-rw-r-- root/root 1824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajg_f07.sdf -rw-rw-r-- root/root 2069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajh_2b4.sdf -rw-rw-r-- root/root 3039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajh_88s.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajh_mli.sdf -rw-rw-r-- root/root 2932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aji_88r.sdf -rw-rw-r-- root/root 2932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajj_88r.sdf -rw-rw-r-- root/root 3039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajj_88s.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajj_mli.sdf -rw-rw-r-- root/root 3559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajl_88w.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajl_mli.sdf -rw-rw-r-- root/root 5552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajn_88v.sdf -rw-rw-r-- root/root 5635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajo_88n.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajr_nap.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajs_a2p.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ajw_vwn.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ak4_p6g.sdf -rw-rw-r-- root/root 5112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4akn_s5b.sdf -rw-rw-r-- root/root 2932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aky_4ll.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4al0_gsh.sdf -rw-rw-r-- root/root 5623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4al1_48t.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4al1_bog.sdf -rw-rw-r-- root/root 5646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4al4_w7e.sdf -rw-rw-r-- root/root 1780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4alb_hc4.sdf -rw-rw-r-- root/root 3102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ald_2fp.sdf -rw-rw-r-- root/root 4779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4alg_1gh.sdf -rw-rw-r-- root/root 2223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4alh_a9p.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ali_tcl.sdf -rw-rw-r-- root/root 2756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4alk_e9p.sdf -rw-rw-r-- root/root 2845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4alu_79o.sdf -rw-rw-r-- root/root 4604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4alv_r9p.sdf -rw-rw-r-- root/root 3684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4alw_hy7.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4alx_1pe.sdf -rw-rw-r-- root/root 3735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4alx_izn.sdf -rw-rw-r-- root/root 2807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4am8_pao.sdf -rw-rw-r-- root/root 4709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ami_g90.sdf -rw-rw-r-- root/root 5089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4amj_cvd.sdf -rw-rw-r-- root/root 3876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aml_gyu.sdf -rw-rw-r-- root/root 2643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4amv_f6r.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4an2_acp.sdf -rw-rw-r-- root/root 4680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4an2_eui.sdf -rw-rw-r-- root/root 3697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4an3_5y0.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4an3_atp.sdf -rw-rw-r-- root/root 3356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4an9_2p7.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4an9_acp.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4anb_acp.sdf -rw-rw-r-- root/root 3793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4anb_yqy.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4anm_wul.sdf -rw-rw-r-- root/root 3072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4anp_3qi.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4anq_vgh.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ans_vgh.sdf -rw-rw-r-- root/root 3159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4anu_em7.sdf -rw-rw-r-- root/root 5923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4anv_751.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4anw_o92.sdf -rw-rw-r-- root/root 6005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4anx_534.sdf -rw-rw-r-- root/root 3295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aoa_ik2.sdf -rw-rw-r-- root/root 3354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aof_7l0.sdf -rw-rw-r-- root/root 3664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aoi_4k0.sdf -rw-rw-r-- root/root 4209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aoj_v4z.sdf -rw-rw-r-- root/root 7351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aot_gw8.sdf -rw-rw-r-- root/root 3369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ap7_f47.sdf -rw-rw-r-- root/root 7078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4app_n53.sdf -rw-rw-r-- root/root 6799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4apu_a2k.sdf -rw-rw-r-- root/root 8529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aq3_398.sdf -rw-rw-r-- root/root 5037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aqc_88a.sdf -rw-rw-r-- root/root 1117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aqd_bal.sdf -rw-rw-r-- root/root 3843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aqh_tb7.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aqk_adp.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aqk_i6p.sdf -rw-rw-r-- root/root 3903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aql_txc.sdf -rw-rw-r-- root/root 3041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ara_c56.sdf -rw-rw-r-- root/root 3041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4arb_c57.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ark_adp.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ark_m3k.sdf -rw-rw-r-- root/root 6343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4as7_6lx.sdf -rw-rw-r-- root/root 7440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4as9_4qs.sdf -rw-rw-r-- root/root 7877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4asa_59c.sdf -rw-rw-r-- root/root 8480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4asb_8to.sdf -rw-rw-r-- root/root 4702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ase_av9.sdf -rw-rw-r-- root/root 7829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4asf_62u.sdf -rw-rw-r-- root/root 8089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4asg_814.sdf -rw-rw-r-- root/root 4745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ask_k0i.sdf -rw-rw-r-- root/root 2541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4asx_6oj.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4at1_atp.sdf -rw-rw-r-- root/root 3854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4at3_lti.sdf -rw-rw-r-- root/root 4109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4at4_t6e.sdf -rw-rw-r-- root/root 4468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4at5_muj.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4atj_bho.sdf -rw-rw-r-- root/root 3905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4att_hnv.sdf -rw-rw-r-- root/root 2460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4au8_z3r.sdf -rw-rw-r-- root/root 2355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aua_4au.sdf -rw-rw-r-- root/root 3645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4auj_hnw.sdf -rw-rw-r-- root/root 4983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aux_xtc.sdf -rw-rw-r-- root/root 3469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4av4_fvq.sdf -rw-rw-r-- root/root 4461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4av5_fyz.sdf -rw-rw-r-- root/root 5319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4avg_sl6.sdf -rw-rw-r-- root/root 3848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4avh_fk9.sdf -rw-rw-r-- root/root 4815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4avi_xns.sdf -rw-rw-r-- root/root 4547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4avj_j73.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4avl_tmp.sdf -rw-rw-r-- root/root 757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4avs_n7p.sdf -rw-rw-r-- root/root 4334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4avv_ghe.sdf -rw-rw-r-- root/root 3113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4avx_itp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aw0_atp.sdf -rw-rw-r-- root/root 3592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aw0_mjf.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aw1_21o.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aw1_atp.sdf -rw-rw-r-- root/root 4358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aw2_22e.sdf -rw-rw-r-- root/root 9855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aw3_myv.sdf -rw-rw-r-- root/root 6187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aw5_30k.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4awf_xi7.sdf -rw-rw-r-- root/root 4816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4awg_ci3.sdf -rw-rw-r-- root/root 5016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4awi_aq2.sdf -rw-rw-r-- root/root 5098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4awk_ci1.sdf -rw-rw-r-- root/root 4713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4awm_kdh.sdf -rw-rw-r-- root/root 6605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ax9_n5n.sdf -rw-rw-r-- root/root 3602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4axa_rkd.sdf -rw-rw-r-- root/root 1847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4axb_fp1.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4axd_anp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4axe_adp.sdf -rw-rw-r-- root/root 4036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4axf_4my.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4axf_anp.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4axx_3pg.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4axx_adp.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ayt_lmt.sdf -rw-rw-r-- root/root 2020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ayu_n8p.sdf -rw-rw-r-- root/root 4230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4az0_s61.sdf -rw-rw-r-- root/root 5884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4az3_s35.sdf -rw-rw-r-- root/root 2647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4az5_ngw.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4az6_oan.sdf -rw-rw-r-- root/root 2737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4az7_log.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4azb_oan.sdf -rw-rw-r-- root/root 2647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4azc_ngw.sdf -rw-rw-r-- root/root 3364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4aze_3ra.sdf -rw-rw-r-- root/root 3364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4azf_3ra.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4azg_oan.sdf -rw-rw-r-- root/root 2737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4azh_log.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4azi_oan.sdf -rw-rw-r-- root/root 5662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4azm_t4b.sdf -rw-rw-r-- root/root 6149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4azr_a9m.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4azt_sam.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b05_32d.sdf -rw-rw-r-- root/root 2238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b0b_54f.sdf -rw-rw-r-- root/root 2199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b0c_c9h.sdf -rw-rw-r-- root/root 4607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b0g_vek.sdf -rw-rw-r-- root/root 4101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b0i_kbp.sdf -rw-rw-r-- root/root 1808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b0j_3mq.sdf -rw-rw-r-- root/root 5390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b1f_krh.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b1h_ar6.sdf -rw-rw-r-- root/root 7757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b1i_a8p.sdf -rw-rw-r-- root/root 5396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b1j_a1r.sdf -rw-rw-r-- root/root 5124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b1r_itc.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b1y_1pe.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b1y_p6g.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b2h_c3f.sdf -rw-rw-r-- root/root 1434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b2i_lz1.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b2j_rbf.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b2k_rbf.sdf -rw-rw-r-- root/root 2757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b2l_tr7.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b2m_rbf.sdf -rw-rw-r-- root/root 1789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b32_03v.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b33_1np.sdf -rw-rw-r-- root/root 1527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b34_abv.sdf -rw-rw-r-- root/root 2069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b35_4me.sdf -rw-rw-r-- root/root 5113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b3a_tac.sdf -rw-rw-r-- root/root 1611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b3c_5h1.sdf -rw-rw-r-- root/root 1778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b3d_5mi.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b4l_1pe.sdf -rw-rw-r-- root/root 6229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b6c_b5u.sdf -rw-rw-r-- root/root 1613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b6e_10l.sdf -rw-rw-r-- root/root 2690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b6f_20l.sdf -rw-rw-r-- root/root 6090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b6l_9zp.sdf -rw-rw-r-- root/root 3662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b6o_3dq.sdf -rw-rw-r-- root/root 3603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b6q_bz5.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b6s_2hn.sdf -rw-rw-r-- root/root 3223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b71_djl.sdf -rw-rw-r-- root/root 4527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b72_2fb.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b73_4va.sdf -rw-rw-r-- root/root 5160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b74_1lh.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b75_4va.sdf -rw-rw-r-- root/root 2700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b76_pw1.sdf -rw-rw-r-- root/root 4221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b77_54m.sdf -rw-rw-r-- root/root 5774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b7d_qle.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b7e_oga.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b7k_oga.sdf -rw-rw-r-- root/root 5071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b7p_9un.sdf -rw-rw-r-- root/root 5774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b7s_qle.sdf -rw-rw-r-- root/root 3498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b7t_cwt.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b7u_bcn.sdf -rw-rw-r-- root/root 3851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b7z_q4q.sdf -rw-rw-r-- root/root 3603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b80_a36.sdf -rw-rw-r-- root/root 3615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b81_zn4.sdf -rw-rw-r-- root/root 3347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b82_b3z.sdf -rw-rw-r-- root/root 3688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b83_b3v.sdf -rw-rw-r-- root/root 3638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b84_z5k.sdf -rw-rw-r-- root/root 3346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b85_b3w.sdf -rw-rw-r-- root/root 4425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b8l_a0p.sdf -rw-rw-r-- root/root 5555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b8m_vx6.sdf -rw-rw-r-- root/root 3473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b8u_ibk.sdf -rw-rw-r-- root/root 3845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b98_pxg.sdf -rw-rw-r-- root/root 8135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b99_r4l.sdf -rw-rw-r-- root/root 3289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b9d_ck7.sdf -rw-rw-r-- root/root 7830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4b9z_acr.sdf -rw-rw-r-- root/root 2532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bad_hm6.sdf -rw-rw-r-- root/root 4962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bae_rwx.sdf -rw-rw-r-- root/root 2532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bal_hm6.sdf -rw-rw-r-- root/root 2958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bar_ikx.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bb2_str.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bb3_kka.sdf -rw-rw-r-- root/root 4669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bb4_32w.sdf -rw-rw-r-- root/root 5879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bb5_hd2.sdf -rw-rw-r-- root/root 6025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bb6_hd1.sdf -rw-rw-r-- root/root 4752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bbe_3o4.sdf -rw-rw-r-- root/root 5556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bbf_o19.sdf -rw-rw-r-- root/root 4632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bbg_v02.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bbj_pc.sdf -rw-rw-r-- root/root 5029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bbm_tc0.sdf -rw-rw-r-- root/root 4562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bbx_lkf.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bby_fad.sdf -rw-rw-r-- root/root 1861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bbz_4oj.sdf -rw-rw-r-- root/root 1833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bc4_xul.sdf -rw-rw-r-- root/root 1750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bc5_5fx.sdf -rw-rw-r-- root/root 5917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bc6_xzn.sdf -rw-rw-r-- root/root 3445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bc7_1do.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bc7_fad.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bca_fad.sdf -rw-rw-r-- root/root 5909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bcd_tdv.sdf -rw-rw-r-- root/root 5386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bcf_t6q.sdf -rw-rw-r-- root/root 4938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bcg_t3c.sdf -rw-rw-r-- root/root 5137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bch_t7z.sdf -rw-rw-r-- root/root 3887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bci_t3e.sdf -rw-rw-r-- root/root 3531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bcj_t9n.sdf -rw-rw-r-- root/root 4783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bcq_tjf.sdf -rw-rw-r-- root/root 3230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bcr_wy1.sdf -rw-rw-r-- root/root 1839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bda_vfb.sdf -rw-rw-r-- root/root 1952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bdb_odo.sdf -rw-rw-r-- root/root 2794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bdc_odh.sdf -rw-rw-r-- root/root 3102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bdd_z0o.sdf -rw-rw-r-- root/root 1967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bde_cws.sdf -rw-rw-r-- root/root 2050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bdf_h3r.sdf -rw-rw-r-- root/root 1879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bdg_p3j.sdf -rw-rw-r-- root/root 1966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bdh_wvi.sdf -rw-rw-r-- root/root 3447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bdi_hau.sdf -rw-rw-r-- root/root 2620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bdj_z2m.sdf -rw-rw-r-- root/root 3408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bdk_rqq.sdf -rw-rw-r-- root/root 2731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bdr_kai.sdf -rw-rw-r-- root/root 1761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bds_fpk.sdf -rw-rw-r-- root/root 2675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bds_tha.sdf -rw-rw-r-- root/root 3758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bdt_huw.sdf -rw-rw-r-- root/root 2927 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bdy_cij.sdf -rw-rw-r-- root/root 3000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bdz_19c.sdf -rw-rw-r-- root/root 2928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4be0_bf3.sdf -rw-rw-r-- root/root 2999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4be1_ci4.sdf -rw-rw-r-- root/root 3978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4be2_xz2.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bel_b3p.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ber_c5p.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bes_c5p.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bes_pc.sdf -rw-rw-r-- root/root 5188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bet_cdc.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bf2_stu.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bfm_anp.sdf -rw-rw-r-- root/root 5633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bfp_swy.sdf -rw-rw-r-- root/root 4387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bfr_j82.sdf -rw-rw-r-- root/root 4780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bfs_zvs.sdf -rw-rw-r-- root/root 4497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bft_zvt.sdf -rw-rw-r-- root/root 4426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bfu_zvu.sdf -rw-rw-r-- root/root 5029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bfv_zvv.sdf -rw-rw-r-- root/root 5691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bfw_zvw.sdf -rw-rw-r-- root/root 4500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bfx_zvx.sdf -rw-rw-r-- root/root 5125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bfy_zvy.sdf -rw-rw-r-- root/root 5468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bfz_zvz.sdf -rw-rw-r-- root/root 2725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bg1_ivl.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bg1_oga.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bg6_pe4.sdf -rw-rw-r-- root/root 6427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bge_pyw.sdf -rw-rw-r-- root/root 5187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bgg_844.sdf -rw-rw-r-- root/root 6333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bgi_i4i.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bgk_oga.sdf -rw-rw-r-- root/root 2433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bgk_rtk.sdf -rw-rw-r-- root/root 2629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bgm_dlt.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bgm_oga.sdf -rw-rw-r-- root/root 4400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bgq_38r.sdf -rw-rw-r-- root/root 2610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bhf_mzt.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bhf_oga.sdf -rw-rw-r-- root/root 2526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bhg_c2t.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bhg_oga.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bhi_oga.sdf -rw-rw-r-- root/root 2527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bhi_ruj.sdf -rw-rw-r-- root/root 4396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bhn_bh9.sdf -rw-rw-r-- root/root 10506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bhw_01k.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bhz_7pe.sdf -rw-rw-r-- root/root 1831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bhz_z0b.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bi0_7pe.sdf -rw-rw-r-- root/root 1906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bi0_z0w.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bi1_7pe.sdf -rw-rw-r-- root/root 1817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bi1_zo6.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bi2_7pe.sdf -rw-rw-r-- root/root 1831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bi2_zo8.sdf -rw-rw-r-- root/root 3412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bib_ieo.sdf -rw-rw-r-- root/root 3246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bic_ie4.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bid_ie8.sdf -rw-rw-r-- root/root 3509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bie_ie6.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bii_nad.sdf -rw-rw-r-- root/root 6427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bii_pyw.sdf -rw-rw-r-- root/root 1996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bis_8hq.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bjc_rpb.sdf -rw-rw-r-- root/root 1610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bjh_dor.sdf -rw-rw-r-- root/root 2394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bjh_pal.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bke_plm.sdf -rw-rw-r-- root/root 6180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bkj_sti.sdf -rw-rw-r-- root/root 6016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bky_82b.sdf -rw-rw-r-- root/root 4315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bkz_1ws.sdf -rw-rw-r-- root/root 7510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bli_gmk.sdf -rw-rw-r-- root/root 7154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4blj_70b.sdf -rw-rw-r-- root/root 7590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bm8_a6j.sdf -rw-rw-r-- root/root 5436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bmm_tu1.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bn4_ar6.sdf -rw-rw-r-- root/root 3931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bn4_op2.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bn5_cna.sdf -rw-rw-r-- root/root 5257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bn5_sr7.sdf -rw-rw-r-- root/root 3016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bnf_pv4.sdf -rw-rw-r-- root/root 3536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bng_5pp.sdf -rw-rw-r-- root/root 4057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bnm_tcu.sdf -rw-rw-r-- root/root 3901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bnn_jus.sdf -rw-rw-r-- root/root 1737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bnt_36e.sdf -rw-rw-r-- root/root 3007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bnu_9kq.sdf -rw-rw-r-- root/root 3165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bnv_q7u.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bnx_o74.sdf -rw-rw-r-- root/root 3339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bny_36i.sdf -rw-rw-r-- root/root 3055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bnz_8m5.sdf -rw-rw-r-- root/root 3863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bo0_fxe.sdf -rw-rw-r-- root/root 3613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bo1_nkh.sdf -rw-rw-r-- root/root 3769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bo2_36k.sdf -rw-rw-r-- root/root 2904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bo3_u98.sdf -rw-rw-r-- root/root 3581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bo4_36g.sdf -rw-rw-r-- root/root 2728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bo5_wi4.sdf -rw-rw-r-- root/root 3096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bo6_36p.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bo7_j2t.sdf -rw-rw-r-- root/root 3437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bo8_34x.sdf -rw-rw-r-- root/root 3544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bo9_3x3.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bpm_gsh.sdf -rw-rw-r-- root/root 6596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bpm_lvj.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bq0_plp.sdf -rw-rw-r-- root/root 4007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bqj_xkl.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bqp_nad.sdf -rw-rw-r-- root/root 4154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bqp_vmy.sdf -rw-rw-r-- root/root 3694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bqr_ibh.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bqr_nad.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bqs_adp.sdf -rw-rw-r-- root/root 2506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bqs_k2q.sdf -rw-rw-r-- root/root 2969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bqw_qnm.sdf -rw-rw-r-- root/root 2883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bqy_fnt.sdf -rw-rw-r-- root/root 2711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4br3_a4v.sdf -rw-rw-r-- root/root 5401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4br3_u85.sdf -rw-rw-r-- root/root 5204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4brx_kgw.sdf -rw-rw-r-- root/root 1579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bs0_6nt.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bs4_a64.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4btj_adp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4btj_atp.sdf -rw-rw-r-- root/root 3416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4btk_dtq.sdf -rw-rw-r-- root/root 4583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4btl_5gz.sdf -rw-rw-r-- root/root 8921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4btl_pe3.sdf -rw-rw-r-- root/root 2990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4btm_f8e.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4btw_jw7.sdf -rw-rw-r-- root/root 3509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4btx_wf8.sdf -rw-rw-r-- root/root 5151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bty_jwf.sdf -rw-rw-r-- root/root 2535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bu7_25f.sdf -rw-rw-r-- root/root 2643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bu8_27f.sdf -rw-rw-r-- root/root 2878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bu9_08c.sdf -rw-rw-r-- root/root 2877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bua_91f.sdf -rw-rw-r-- root/root 3565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bud_29f.sdf -rw-rw-r-- root/root 3928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bue_jqf.sdf -rw-rw-r-- root/root 2972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4buf_f36.sdf -rw-rw-r-- root/root 3080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bui_w2e.sdf -rw-rw-r-- root/root 3168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bus_32f.sdf -rw-rw-r-- root/root 2995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4but_31f.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4buu_f38.sdf -rw-rw-r-- root/root 3536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4buv_16i.sdf -rw-rw-r-- root/root 3352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4buw_f33.sdf -rw-rw-r-- root/root 3618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bux_f35.sdf -rw-rw-r-- root/root 3618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4buy_f37.sdf -rw-rw-r-- root/root 2789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4buz_ocz.sdf -rw-rw-r-- root/root 5855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bv2_oad.sdf -rw-rw-r-- root/root 2789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bv2_ocz.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bv3_nad.sdf -rw-rw-r-- root/root 2789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bv3_ocz.sdf -rw-rw-r-- root/root 3640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bv5_5c3.sdf -rw-rw-r-- root/root 2357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bv7_bv7.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bv9_pyr.sdf -rw-rw-r-- root/root 3237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bva_t3.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bvb_ar6.sdf -rw-rw-r-- root/root 2789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bvb_ocz.sdf -rw-rw-r-- root/root 4018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bvc_bv5.sdf -rw-rw-r-- root/root 3595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bvd_bu6.sdf -rw-rw-r-- root/root 5855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bvg_oad.sdf -rw-rw-r-- root/root 5855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bvh_oad.sdf -rw-rw-r-- root/root 2789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bvh_ocz.sdf -rw-rw-r-- root/root 3802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bvn_p32.sdf -rw-rw-r-- root/root 1911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bvx_i3c.sdf -rw-rw-r-- root/root 5112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bw1_s5b.sdf -rw-rw-r-- root/root 5029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bw2_uth.sdf -rw-rw-r-- root/root 5383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bw3_9bm.sdf -rw-rw-r-- root/root 4663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bw4_9b6.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bwj_dct.sdf -rw-rw-r-- root/root 2713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bwl_mn9.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bwm_dct.sdf -rw-rw-r-- root/root 3038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bwm_doc.sdf -rw-rw-r-- root/root 7110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bx7_b4f.sdf -rw-rw-r-- root/root 5601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bxk_1iu.sdf -rw-rw-r-- root/root 5426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4by0_5ps.sdf -rw-rw-r-- root/root 4486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4byi_fh3.sdf -rw-rw-r-- root/root 4226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4byj_fh5.sdf -rw-rw-r-- root/root 4752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bzd_d6i.sdf -rw-rw-r-- root/root 4269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bzn_ugx.sdf -rw-rw-r-- root/root 4763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bzo_676.sdf -rw-rw-r-- root/root 6389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bzr_k26.sdf -rw-rw-r-- root/root 1409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bzs_9x6.sdf -rw-rw-r-- root/root 6389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4bzs_k26.sdf -rw-rw-r-- root/root 6670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c0c_wvh.sdf -rw-rw-r-- root/root 7693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c0w_12p.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c0w_fmn.sdf -rw-rw-r-- root/root 2645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c0x_aqn.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c0x_fmn.sdf -rw-rw-r-- root/root 11765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c14_fd5.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c1c_mco.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c1f_x8z.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c1g_mco.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c1h_x8z.sdf -rw-rw-r-- root/root 3882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c1i_eh9.sdf -rw-rw-r-- root/root 3458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c1m_nih.sdf -rw-rw-r-- root/root 2258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c21_foc.sdf -rw-rw-r-- root/root 2093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c22_cvu.sdf -rw-rw-r-- root/root 6940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c27_26n.sdf -rw-rw-r-- root/root 6666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c28_tw5.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c2p_x8z.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c2s_udp.sdf -rw-rw-r-- root/root 6088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c2v_yja.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c2w_anp.sdf -rw-rw-r-- root/root 2794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c35_nu3.sdf -rw-rw-r-- root/root 2972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c36_zo9.sdf -rw-rw-r-- root/root 2531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c37_z21.sdf -rw-rw-r-- root/root 2781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c38_vup.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c3a_h4b.sdf -rw-rw-r-- root/root 4797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c3a_q16.sdf -rw-rw-r-- root/root 3613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c3f_7kw.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c3k_adp.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4e_1pe.sdf -rw-rw-r-- root/root 3867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4e_4t9.sdf -rw-rw-r-- root/root 3431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4f_7ce.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4f_7pe.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4g_7pe.sdf -rw-rw-r-- root/root 5634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4g_7ro.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4i_7pe.sdf -rw-rw-r-- root/root 5291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4i_x20.sdf -rw-rw-r-- root/root 5658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4j_x21.sdf -rw-rw-r-- root/root 463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4r_mgf.sdf -rw-rw-r-- root/root 2822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4r_yo5.sdf -rw-rw-r-- root/root 2832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4s_grx.sdf -rw-rw-r-- root/root 463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4s_mgf.sdf -rw-rw-r-- root/root 2832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4t_grx.sdf -rw-rw-r-- root/root 2226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4x_w9m.sdf -rw-rw-r-- root/root 2568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4y_7wi.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c4z_w9l.sdf -rw-rw-r-- root/root 5700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c52_x0d.sdf -rw-rw-r-- root/root 4240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c57_fef.sdf -rw-rw-r-- root/root 3470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c58_824.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c5a_adp.sdf -rw-rw-r-- root/root 1692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c5a_ds0.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c5b_adp.sdf -rw-rw-r-- root/root 5840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c5d_x0r.sdf -rw-rw-r-- root/root 2350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c5w_nm3.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c5w_oga.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c61_lmm.sdf -rw-rw-r-- root/root 4575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c62_xww.sdf -rw-rw-r-- root/root 1610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c6e_dor.sdf -rw-rw-r-- root/root 1454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c6l_fot.sdf -rw-rw-r-- root/root 1856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c6n_ncd.sdf -rw-rw-r-- root/root 1443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c6q_oro.sdf -rw-rw-r-- root/root 2744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c6u_tlg.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c6x_tlm.sdf -rw-rw-r-- root/root 2809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c6z_tle.sdf -rw-rw-r-- root/root 3069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c70_tlj.sdf -rw-rw-r-- root/root 3550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c71_7rd.sdf -rw-rw-r-- root/root 2744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c72_tlg.sdf -rw-rw-r-- root/root 2765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c73_tlh.sdf -rw-rw-r-- root/root 2610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c7b_bvb.sdf -rw-rw-r-- root/root 4732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c7j_4yq.sdf -rw-rw-r-- root/root 4898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c7k_dzl.sdf -rw-rw-r-- root/root 4759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c7t_5ri.sdf -rw-rw-r-- root/root 6026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c8b_0li.sdf -rw-rw-r-- root/root 4855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c8k_bmr.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c8n_pge.sdf -rw-rw-r-- root/root 3498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c8r_6yt.sdf -rw-rw-r-- root/root 4463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c9f_gq2.sdf -rw-rw-r-- root/root 8217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c9f_gq4.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c9w_vgh.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4c9x_vhs.sdf -rw-rw-r-- root/root 4015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ca4_kgm.sdf -rw-rw-r-- root/root 8076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ca5_3ef.sdf -rw-rw-r-- root/root 8076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ca6_3ef.sdf -rw-rw-r-- root/root 8076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ca7_3ef.sdf -rw-rw-r-- root/root 8076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ca8_3es.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cao_h4b.sdf -rw-rw-r-- root/root 4194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cao_m46.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cap_h4b.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cap_ml6.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4caq_h4b.sdf -rw-rw-r-- root/root 3933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4caq_m68.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4car_h4b.sdf -rw-rw-r-- root/root 3674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4car_m87.sdf -rw-rw-r-- root/root 5906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4caw_p3u.sdf -rw-rw-r-- root/root 5126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cax_646.sdf -rw-rw-r-- root/root 3709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cb5_93g.sdf -rw-rw-r-- root/root 4543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cb6_29r.sdf -rw-rw-r-- root/root 3627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cb7_41g.sdf -rw-rw-r-- root/root 3889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cbt_9f4.sdf -rw-rw-r-- root/root 3701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cby_kee.sdf -rw-rw-r-- root/root 1552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cc5_l5v.sdf -rw-rw-r-- root/root 3262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cc6_l5y.sdf -rw-rw-r-- root/root 4243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ccb_ofg.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ccc_147.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cck_oga.sdf -rw-rw-r-- root/root 5034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ccu_awf.sdf -rw-rw-r-- root/root 5294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cd0_awj.sdf -rw-rw-r-- root/root 4167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cd3_8e9.sdf -rw-rw-r-- root/root 4683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ce1_7fk.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ce2_bo5.sdf -rw-rw-r-- root/root 4167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ce3_l4v.sdf -rw-rw-r-- root/root 6511 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cec_2ss.sdf -rw-rw-r-- root/root 6273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ced_9ns.sdf -rw-rw-r-- root/root 6041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cee_b0t.sdf -rw-rw-r-- root/root 6170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cef_d0t.sdf -rw-rw-r-- root/root 6523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ceo_g0t.sdf -rw-rw-r-- root/root 6677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ceq_qch.sdf -rw-rw-r-- root/root 6157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cer_vl4.sdf -rw-rw-r-- root/root 5919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ces_nfw.sdf -rw-rw-r-- root/root 6417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cf0_o5u.sdf -rw-rw-r-- root/root 6157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cf1_iy7.sdf -rw-rw-r-- root/root 5897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cf2_3gm.sdf -rw-rw-r-- root/root 6587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cf6_cbd.sdf -rw-rw-r-- root/root 5919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cf8_v7h.sdf -rw-rw-r-- root/root 4503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cf9_5ey.sdf -rw-rw-r-- root/root 5482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cfa_wop.sdf -rw-rw-r-- root/root 5353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cfc_7nv.sdf -rw-rw-r-- root/root 5353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cfd_s8y.sdf -rw-rw-r-- root/root 4537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cfe_992.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cfe_amp.sdf -rw-rw-r-- root/root 3765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cfl_8dq.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cfs_hqd.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cft_h4b.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cft_m48.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cfu_2wc.sdf -rw-rw-r-- root/root 4468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cfv_75x.sdf -rw-rw-r-- root/root 4833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cfw_sq9.sdf -rw-rw-r-- root/root 4573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cfx_g6t.sdf -rw-rw-r-- root/root 7515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cg8_g8s.sdf -rw-rw-r-- root/root 3939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cg9_gqg.sdf -rw-rw-r-- root/root 4459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cga_qlw.sdf -rw-rw-r-- root/root 3063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cgd_8p3.sdf -rw-rw-r-- root/root 3358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cgf_uj6.sdf -rw-rw-r-- root/root 4514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cgg_k5q.sdf -rw-rw-r-- root/root 4837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cgh_loz.sdf -rw-rw-r-- root/root 5355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cgi_nzl.sdf -rw-rw-r-- root/root 2840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cho_u2z.sdf -rw-rw-r-- root/root 3607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4chq_cwu.sdf -rw-rw-r-- root/root 3264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4chy_c5q.sdf -rw-rw-r-- root/root 2727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ci1_ef2.sdf -rw-rw-r-- root/root 2969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ci2_lvy.sdf -rw-rw-r-- root/root 2897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ci3_y70.sdf -rw-rw-r-- root/root 4925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ci4_y1n.sdf -rw-rw-r-- root/root 4925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ci5_y1n.sdf -rw-rw-r-- root/root 2723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cib_7uz.sdf -rw-rw-r-- root/root 5189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cie_y7n.sdf -rw-rw-r-- root/root 5530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cif_jdx.sdf -rw-rw-r-- root/root 6078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cig_x0p.sdf -rw-rw-r-- root/root 3384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cik_xo3.sdf -rw-rw-r-- root/root 2398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4civ_48p.sdf -rw-rw-r-- root/root 2659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ciw_xh2.sdf -rw-rw-r-- root/root 3568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cix_w4n.sdf -rw-rw-r-- root/root 3568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ciy_ndy.sdf -rw-rw-r-- root/root 5095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cj3_e4f.sdf -rw-rw-r-- root/root 4728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cj4_s3g.sdf -rw-rw-r-- root/root 4988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cj5_4vw.sdf -rw-rw-r-- root/root 4811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cje_q31.sdf -rw-rw-r-- root/root 3192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cjf_rvn.sdf -rw-rw-r-- root/root 4894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cjk_h39.sdf -rw-rw-r-- root/root 5119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cjl_9pa.sdf -rw-rw-r-- root/root 4728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cjp_4d2.sdf -rw-rw-r-- root/root 5449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cjq_vxo.sdf -rw-rw-r-- root/root 5825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cjr_fym.sdf -rw-rw-r-- root/root 5875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cjs_l0y.sdf -rw-rw-r-- root/root 2980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cju_jns.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ck3_k1t.sdf -rw-rw-r-- root/root 5880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ck8_lfd.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ck9_lft.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cka_lfs.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cki_adn.sdf -rw-rw-r-- root/root 6472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ckr_di1.sdf -rw-rw-r-- root/root 9027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cku_p2f.sdf -rw-rw-r-- root/root 2659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cky_nd3.sdf -rw-rw-r-- root/root 2399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cl0_9py.sdf -rw-rw-r-- root/root 85 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cl6_7sb.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cla_clm.sdf -rw-rw-r-- root/root 5506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4clb_83t.sdf -rw-rw-r-- root/root 4514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cli_5p8.sdf -rw-rw-r-- root/root 3562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4clz_4ds.sdf -rw-rw-r-- root/root 4490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cmo_ypw.sdf -rw-rw-r-- root/root 4951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cmt_gwh.sdf -rw-rw-r-- root/root 4669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cmu_iv7.sdf -rw-rw-r-- root/root 4532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cn1_m1f.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cn6_n9s.sdf -rw-rw-r-- root/root 3948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cnh_3u9.sdf -rw-rw-r-- root/root 2399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cno_9py.sdf -rw-rw-r-- root/root 2398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cnp_9c4.sdf -rw-rw-r-- root/root 5357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cod_kv1.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cod_nad.sdf -rw-rw-r-- root/root 6672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4coh_t9h.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cox_imn.sdf -rw-rw-r-- root/root 11010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cp3_rbt.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cp5_eoi.sdf -rw-rw-r-- root/root 6605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cpe_luv.sdf -rw-rw-r-- root/root 6978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cpf_lh3.sdf -rw-rw-r-- root/root 8768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cph_lh4.sdf -rw-rw-r-- root/root 8768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cpi_lh4.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cpm_g39.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cpn_zmr.sdf -rw-rw-r-- root/root 2371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cpp_adm.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cpy_g39.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cpz_zmr.sdf -rw-rw-r-- root/root 1685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cq5_tca.sdf -rw-rw-r-- root/root 4704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cq6_t25.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cq7_mrd.sdf -rw-rw-r-- root/root 4372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cq7_whw.sdf -rw-rw-r-- root/root 3430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cq8_jbw.sdf -rw-rw-r-- root/root 3789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cq9_xbl.sdf -rw-rw-r-- root/root 4012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cqa_id6.sdf -rw-rw-r-- root/root 6509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cqe_cqe.sdf -rw-rw-r-- root/root 5552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cqg_ot5.sdf -rw-rw-r-- root/root 3073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cqj_efa.sdf -rw-rw-r-- root/root 5165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cqn_ila.sdf -rw-rw-r-- root/root 250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cr5_0tu.sdf -rw-rw-r-- root/root 2226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cr9_otw.sdf -rw-rw-r-- root/root 5777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cra_xj8.sdf -rw-rw-r-- root/root 5883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4crb_7p0.sdf -rw-rw-r-- root/root 5538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4crc_otm.sdf -rw-rw-r-- root/root 5233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4crd_otj.sdf -rw-rw-r-- root/root 1977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cre_mvn.sdf -rw-rw-r-- root/root 4337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4crg_j4x.sdf -rw-rw-r-- root/root 6435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4crl_c1i.sdf -rw-rw-r-- root/root 2912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cs4_axz.sdf -rw-rw-r-- root/root 5461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4csj_nn7.sdf -rw-rw-r-- root/root 4736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4css_cwx.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cst_cwk.sdf -rw-rw-r-- root/root 4125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ct1_31s.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ct1_atp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ct2_atp.sdf -rw-rw-r-- root/root 4726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ctb_kvc.sdf -rw-rw-r-- root/root 5023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ctc_j99.sdf -rw-rw-r-- root/root 6389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cth_rdf.sdf -rw-rw-r-- root/root 4885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ctp_2ik.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ctp_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ctr_h4b.sdf -rw-rw-r-- root/root 4802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ctr_s20.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ctt_h4b.sdf -rw-rw-r-- root/root 4708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ctt_s7k.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ctu_h4b.sdf -rw-rw-r-- root/root 5151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ctu_s42.sdf -rw-rw-r-- root/root 5069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ctv_7s7.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ctv_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cty_h4b.sdf -rw-rw-r-- root/root 4885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cty_s5d.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ctz_h4b.sdf -rw-rw-r-- root/root 4708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ctz_s7k.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cu0_h4b.sdf -rw-rw-r-- root/root 5069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cu0_s71.sdf -rw-rw-r-- root/root 1687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cup_zyb.sdf -rw-rw-r-- root/root 2456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cuq_5k3.sdf -rw-rw-r-- root/root 1761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cur_la7.sdf -rw-rw-r-- root/root 1714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cus_es1.sdf -rw-rw-r-- root/root 1853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cut_tyl.sdf -rw-rw-r-- root/root 2141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cuu_y6m.sdf -rw-rw-r-- root/root 4326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cuz_aew.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cv1_pt6.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cv2_nai.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cv2_pt6.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cv3_nai.sdf -rw-rw-r-- root/root 4233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cv3_vt4.sdf -rw-rw-r-- root/root 2229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cv8_3d7.sdf -rw-rw-r-- root/root 4741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cv9_w2k.sdf -rw-rw-r-- root/root 4565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cva_wbi.sdf -rw-rw-r-- root/root 1808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cw0_mua.sdf -rw-rw-r-- root/root 1990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cw2_xds.sdf -rw-rw-r-- root/root 1808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cw3_mua.sdf -rw-rw-r-- root/root 1990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cw3_xds.sdf -rw-rw-r-- root/root 1990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cw6_xds.sdf -rw-rw-r-- root/root 2467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cwd_449.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cwd_oga.sdf -rw-rw-r-- root/root 3878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cwn_6lv.sdf -rw-rw-r-- root/root 3924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cwq_w2d.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cwr_haj.sdf -rw-rw-r-- root/root 4257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cws_g3r.sdf -rw-rw-r-- root/root 4267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cwt_ik9.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cwv_h4b.sdf -rw-rw-r-- root/root 5046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cwv_hw8.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cww_h4b.sdf -rw-rw-r-- root/root 5306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cww_hw9.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cwx_h4b.sdf -rw-rw-r-- root/root 5223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cwx_hw0.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cwy_h4b.sdf -rw-rw-r-- root/root 5483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cwy_hw1.sdf -rw-rw-r-- root/root 5069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cx7_s71.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cxa_anp.sdf -rw-rw-r-- root/root 1608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cxs_sv7.sdf -rw-rw-r-- root/root 2525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cxu_62y.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cxw_6mk.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cxx_640.sdf -rw-rw-r-- root/root 2432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cxy_dgr.sdf -rw-rw-r-- root/root 4127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cyg_rrv.sdf -rw-rw-r-- root/root 1608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4cys_sv7.sdf -rw-rw-r-- root/root 5617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4czt_cps.sdf -rw-rw-r-- root/root 5617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4czu_cps.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4czz_fad.sdf -rw-rw-r-- root/root 5462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d08_q2t.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d09_788.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d0l_gsp.sdf -rw-rw-r-- root/root 3345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d0r_41i.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d0r_nad.sdf -rw-rw-r-- root/root 4228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d0s_9g4.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d0s_nad.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d0w_vvq.sdf -rw-rw-r-- root/root 3460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d0x_953.sdf -rw-rw-r-- root/root 1737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d13_iup.sdf -rw-rw-r-- root/root 1737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d17_iup.sdf -rw-rw-r-- root/root 2615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d1a_i5h.sdf -rw-rw-r-- root/root 6098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d1s_bjg.sdf -rw-rw-r-- root/root 4853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d2p_6z7.sdf -rw-rw-r-- root/root 5284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d2r_dyk.sdf -rw-rw-r-- root/root 5284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d2s_dyk.sdf -rw-rw-r-- root/root 4215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d2t_3i7.sdf -rw-rw-r-- root/root 4582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d2v_45r.sdf -rw-rw-r-- root/root 3490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d2w_nf5.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d2y_h4b.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d2y_l5z.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d30_eg8.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d30_h4b.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d32_7f5.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d32_h4b.sdf -rw-rw-r-- root/root 3945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d33_6j0.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d33_h4b.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d34_e2z.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d34_h4b.sdf -rw-rw-r-- root/root 4028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d35_4e8.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d35_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d36_h4b.sdf -rw-rw-r-- root/root 4029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d36_hlw.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d37_9hl.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d37_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d38_h4b.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d38_l5z.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d39_h4b.sdf -rw-rw-r-- root/root 3602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d39_olw.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d3a_7f5.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d3a_h4b.sdf -rw-rw-r-- root/root 3945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d3b_6j0.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d3b_h4b.sdf -rw-rw-r-- root/root 5151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d3i_1et.sdf -rw-rw-r-- root/root 4891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d3j_xfn.sdf -rw-rw-r-- root/root 5662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d3k_12s.sdf -rw-rw-r-- root/root 5079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d3m_ivu.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d3n_sk6.sdf -rw-rw-r-- root/root 5092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d3o_s97.sdf -rw-rw-r-- root/root 4959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d3t_rfq.sdf -rw-rw-r-- root/root 4959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d3u_rfq.sdf -rw-rw-r-- root/root 4959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d3v_rfq.sdf -rw-rw-r-- root/root 4012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d41_ja1.sdf -rw-rw-r-- root/root 2991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d43_9w7.sdf -rw-rw-r-- root/root 2361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d45_j47.sdf -rw-rw-r-- root/root 2361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d46_j47.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d46_nad.sdf -rw-rw-r-- root/root 3266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d4j_bki.sdf -rw-rw-r-- root/root 3609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d4k_bke.sdf -rw-rw-r-- root/root 3266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d4l_bks.sdf -rw-rw-r-- root/root 3266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d4m_bkv.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d4v_kb8.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d4z_b3p.sdf -rw-rw-r-- root/root 5297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d58_bi9.sdf -rw-rw-r-- root/root 2633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d5h_9rm.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d5o_lat.sdf -rw-rw-r-- root/root 1621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d6q_pd2.sdf -rw-rw-r-- root/root 4490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d6z_pk9.sdf -rw-rw-r-- root/root 5887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d76_j1j.sdf -rw-rw-r-- root/root 5493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d78_j9k.sdf -rw-rw-r-- root/root 5871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d7d_pkt.sdf -rw-rw-r-- root/root 5628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d7f_ixa.sdf -rw-rw-r-- root/root 5364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d7g_e6u.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d7h_h4b.sdf -rw-rw-r-- root/root 4194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d7h_m46.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d7i_0gd.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d7i_h4b.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d7j_0gd.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d7j_h4b.sdf -rw-rw-r-- root/root 4854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d7m_tdc.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d7o_0gd.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d7o_h4b.sdf -rw-rw-r-- root/root 5049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d8n_0hm.sdf -rw-rw-r-- root/root 3693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d8s_0hx.sdf -rw-rw-r-- root/root 3562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d96_5pa.sdf -rw-rw-r-- root/root 1303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d97_dsn.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d9b_pmp.sdf -rw-rw-r-- root/root 3310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d9e_lcs.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d9f_dcs.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d9h_adn.sdf -rw-rw-r-- root/root 3122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d9m_0jo.sdf -rw-rw-r-- root/root 1303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d9n_dsn.sdf -rw-rw-r-- root/root 4581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4d9t_0jg.sdf -rw-rw-r-- root/root 2966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4da0_gng.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4da4_sah.sdf -rw-rw-r-- root/root 3595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4da5_0h7.sdf -rw-rw-r-- root/root 2857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4da6_ga2.sdf -rw-rw-r-- root/root 2505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4da7_ac2.sdf -rw-rw-r-- root/root 3070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4da8_bg2.sdf -rw-rw-r-- root/root 1361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dab_hpa.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dae_6cr.sdf -rw-rw-r-- root/root 2976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dan_2fa.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dao_ade.sdf -rw-rw-r-- root/root 3051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dar_tbn.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dbk_ber.sdf -rw-rw-r-- root/root 5292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dbn_0ja.sdf -rw-rw-r-- root/root 3296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dbs_0hv.sdf -rw-rw-r-- root/root 2809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dbu_bt9.sdf -rw-rw-r-- root/root 3530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dbw_511.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dc2_ade.sdf -rw-rw-r-- root/root 6231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dce_0jf.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dcf_pg4.sdf -rw-rw-r-- root/root 3421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dcg_mg7.sdf -rw-rw-r-- root/root 4279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dch_4dc.sdf -rw-rw-r-- root/root 2331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ddh_ms0.sdf -rw-rw-r-- root/root 1725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ddk_0hn.sdf -rw-rw-r-- root/root 5514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ddl_0jq.sdf -rw-rw-r-- root/root 1559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ddm_0ho.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ddr_mmv.sdf -rw-rw-r-- root/root 1985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4de5_0jd.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4de7_udp.sdf -rw-rw-r-- root/root 3718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dea_nhi.sdf -rw-rw-r-- root/root 3812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4deb_nhj.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dec_3pg.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dec_udp.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ded_nhu.sdf -rw-rw-r-- root/root 4174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4deg_0jj.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4deh_0jk.sdf -rw-rw-r-- root/root 5065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dei_0jl.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4del_pgh.sdf -rw-rw-r-- root/root 8097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4df4_0l3.sdf -rw-rw-r-- root/root 5475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4df8_0l4.sdf -rw-rw-r-- root/root 7822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dfg_0jv.sdf -rw-rw-r-- root/root 5110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dfj_0kl.sdf -rw-rw-r-- root/root 7732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dfk_0l5.sdf -rw-rw-r-- root/root 4727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dfl_0k0.sdf -rw-rw-r-- root/root 5359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dfm_0l6.sdf -rw-rw-r-- root/root 5568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dfn_0k1.sdf -rw-rw-r-- root/root 5568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dfp_0l7.sdf -rw-rw-r-- root/root 4966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dgg_i76.sdf -rw-rw-r-- root/root 2822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dgm_agi.sdf -rw-rw-r-- root/root 2899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dgn_lu2.sdf -rw-rw-r-- root/root 2316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dgo_0jw.sdf -rw-rw-r-- root/root 5114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dgr_3lv.sdf -rw-rw-r-- root/root 13033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dh0_mr8.sdf -rw-rw-r-- root/root 5711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dhf_0k6.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dhl_0k7.sdf -rw-rw-r-- root/root 3528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dhm_0kb.sdf -rw-rw-r-- root/root 3473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dhn_0kc.sdf -rw-rw-r-- root/root 3589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dho_y09.sdf -rw-rw-r-- root/root 3539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dhp_y07.sdf -rw-rw-r-- root/root 3246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dhq_y06.sdf -rw-rw-r-- root/root 3246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dhr_y04.sdf -rw-rw-r-- root/root 3257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dhs_y03.sdf -rw-rw-r-- root/root 3733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dht_0kg.sdf -rw-rw-r-- root/root 3257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dhu_0kh.sdf -rw-rw-r-- root/root 1833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dhw_0l1.sdf -rw-rw-r-- root/root 3440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4di5_1ga.sdf -rw-rw-r-- root/root 860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4di5_dpo.sdf -rw-rw-r-- root/root 1879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4di8_0gy.sdf -rw-rw-r-- root/root 1879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4di9_0gy.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4did_gdp.sdf -rw-rw-r-- root/root 5922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dig_mu2.sdf -rw-rw-r-- root/root 6312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dij_blf.sdf -rw-rw-r-- root/root 1621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4diq_pd2.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dit_0kd.sdf -rw-rw-r-- root/root 5266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4djf_c2f.sdf -rw-rw-r-- root/root 6549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4djh_jdc.sdf -rw-rw-r-- root/root 2096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4djj_pml.sdf -rw-rw-r-- root/root 2580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4djl_cxa.sdf -rw-rw-r-- root/root 7182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4djq_m86.sdf -rw-rw-r-- root/root 6862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4djr_0kj.sdf -rw-rw-r-- root/root 4486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4djv_0km.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4djw_0kp.sdf -rw-rw-r-- root/root 4215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4djy_0kr.sdf -rw-rw-r-- root/root 5554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dk5_0ko.sdf -rw-rw-r-- root/root 3696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dk7_0ks.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dk8_0kt.sdf -rw-rw-r-- root/root 3148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dld_tzg.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dle_dct.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dlg_dct.sdf -rw-rw-r-- root/root 4223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dlj_6rg.sdf -rw-rw-r-- root/root 1821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dlp_mse.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dm3_rco.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dm3_sah.sdf -rw-rw-r-- root/root 4865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dm6_ttb.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dm8_rea.sdf -rw-rw-r-- root/root 3693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dmn_0l9.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dn5_ags.sdf -rw-rw-r-- root/root 2975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dne_dtb.sdf -rw-rw-r-- root/root 1773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dnj_ann.sdf -rw-rw-r-- root/root 2104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4do0_dza.sdf -rw-rw-r-- root/root 2716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4do4_djn.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4do5_dgj.sdf -rw-rw-r-- root/root 3038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4do9_doc.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4do9_gfh.sdf -rw-rw-r-- root/root 3038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dob_doc.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dob_grc.sdf -rw-rw-r-- root/root 9416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dos_plc.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dp3_mmv.sdf -rw-rw-r-- root/root 4840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dpd_dhf.sdf -rw-rw-r-- root/root 3703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dpe_ngh.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dpg_apc.sdf -rw-rw-r-- root/root 3497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dph_p65.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dpr_x8z.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dq3_ola.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dq4_eic.sdf -rw-rw-r-- root/root 6759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dqh_017.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dqi_dcp.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dqp_dct.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dqr_ctp.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dqu_nai.sdf -rw-rw-r-- root/root 12774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4drh_rap.sdf -rw-rw-r-- root/root 12774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4drj_rap.sdf -rw-rw-r-- root/root 7450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4drk_i63.sdf -rw-rw-r-- root/root 8176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4drn_0mc.sdf -rw-rw-r-- root/root 7540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dro_0md.sdf -rw-rw-r-- root/root 5647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4drq_0os.sdf -rw-rw-r-- root/root 4402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dsa_d1c.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dsc_a8s.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dsj_dgt.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dsy_0lo.sdf -rw-rw-r-- root/root 4133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dsz_dc3.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dt2_0lv.sdf -rw-rw-r-- root/root 4874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dtc_d5c.sdf -rw-rw-r-- root/root 4350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dtk_7li.sdf -rw-rw-r-- root/root 4464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dtt_i41.sdf -rw-rw-r-- root/root 2312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dtw_sro.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dtz_ldp.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4du2_ldp.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dub_ldp.sdf -rw-rw-r-- root/root 2312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4due_sro.sdf -rw-rw-r-- root/root 2312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4duf_sro.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4duh_rli.sdf -rw-rw-r-- root/root 2480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4duk_bzs.sdf -rw-rw-r-- root/root 5149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dv8_0lx.sdf -rw-rw-r-- root/root 4888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dvi_2iw.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dvo_sor.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dvr_0ly.sdf -rw-rw-r-- root/root 4235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dw6_0mn.sdf -rw-rw-r-- root/root 6555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dwv_naj.sdf -rw-rw-r-- root/root 1545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dwv_pfb.sdf -rw-rw-r-- root/root 3880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dx5_c14.sdf -rw-rw-r-- root/root 2831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dx5_d10.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dx5_d12.sdf -rw-rw-r-- root/root 2570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dx5_dd9.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dx5_lmu.sdf -rw-rw-r-- root/root 5450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dx5_miy.sdf -rw-rw-r-- root/root 2311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dx5_oct.sdf -rw-rw-r-- root/root 2831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dx7_d10.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dx7_d12.sdf -rw-rw-r-- root/root 6197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dx7_dm2.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dx7_lmu.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dxa_gsp.sdf -rw-rw-r-- root/root 2914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dxd_9pc.sdf -rw-rw-r-- root/root 879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dxh_etf.sdf -rw-rw-r-- root/root 6555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dxh_naj.sdf -rw-rw-r-- root/root 1988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dxu_aca.sdf -rw-rw-r-- root/root 6998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dy6_a22.sdf -rw-rw-r-- root/root 5647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dya_0mf.sdf -rw-rw-r-- root/root 5907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dyb_0mh.sdf -rw-rw-r-- root/root 3782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dym_iyz.sdf -rw-rw-r-- root/root 6084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dyn_0mr.sdf -rw-rw-r-- root/root 4502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dyp_0ms.sdf -rw-rw-r-- root/root 3390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dz0_aen.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dz5_pg4.sdf -rw-rw-r-- root/root 2759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dz7_d02.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dz9_id4.sdf -rw-rw-r-- root/root 1950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4dzy_wj1.sdf -rw-rw-r-- root/root 1734 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e01_0f1.sdf -rw-rw-r-- root/root 2731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e0w_kai.sdf -rw-rw-r-- root/root 2731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e0x_kai.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e1g_lnl.sdf -rw-rw-r-- root/root 4329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e1k_0n5.sdf -rw-rw-r-- root/root 4985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e1m_tq2.sdf -rw-rw-r-- root/root 5457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e1n_tqx.sdf -rw-rw-r-- root/root 1173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e1v_urf.sdf -rw-rw-r-- root/root 4728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e1z_0mx.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e20_0my.sdf -rw-rw-r-- root/root 3638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e26_734.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e28_9mz.sdf -rw-rw-r-- root/root 5180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e47_0n6.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e47_sam.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e4k_rrg.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e4l_0nh.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e4m_0nh.sdf -rw-rw-r-- root/root 4376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e4n_0nl.sdf -rw-rw-r-- root/root 2625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e5d_0nj.sdf -rw-rw-r-- root/root 1893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e5f_0n7.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e5g_xi7.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e5h_0n8.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e5i_0n9.sdf -rw-rw-r-- root/root 2969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e5j_581.sdf -rw-rw-r-- root/root 1612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e5l_dbh.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e5o_ump.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e5u_tmp.sdf -rw-rw-r-- root/root 5087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e5w_0nt.sdf -rw-rw-r-- root/root 3596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e6d_0nu.sdf -rw-rw-r-- root/root 4223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e6q_0nv.sdf -rw-rw-r-- root/root 6925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e73_0nr.sdf -rw-rw-r-- root/root 5478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e7b_upg.sdf -rw-rw-r-- root/root 4060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e7c_utp.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e7d_udp.sdf -rw-rw-r-- root/root 5478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e7e_upg.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e7f_udp.sdf -rw-rw-r-- root/root 4930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e90_7rg.sdf -rw-rw-r-- root/root 5527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e91_0of.sdf -rw-rw-r-- root/root 5986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e92_0og.sdf -rw-rw-r-- root/root 7397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e93_gui.sdf -rw-rw-r-- root/root 3779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e96_0ns.sdf -rw-rw-r-- root/root 2870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e99_p8s.sdf -rw-rw-r-- root/root 2964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4e9u_rwy.sdf -rw-rw-r-- root/root 3843 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ea0_651.sdf -rw-rw-r-- root/root 5522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ea1_3rx.sdf -rw-rw-r-- root/root 5522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ea2_rwz.sdf -rw-rw-r-- root/root 1503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ea2_srt.sdf -rw-rw-r-- root/root 6038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ea3_0nn.sdf -rw-rw-r-- root/root 2808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ead_0np.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eak_atp.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eaq_atm.sdf -rw-rw-r-- root/root 3392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ear_im5.sdf -rw-rw-r-- root/root 6558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eaw_0nq.sdf -rw-rw-r-- root/root 2477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eb3_0o3.sdf -rw-rw-r-- root/root 4923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eb4_d16.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eb4_ump.sdf -rw-rw-r-- root/root 3392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eb8_im5.sdf -rw-rw-r-- root/root 15570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eb9_0o6.sdf -rw-rw-r-- root/root 4523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ebc_0oh.sdf -rw-rw-r-- root/root 4523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ebd_0oj.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ebe_dtp.sdf -rw-rw-r-- root/root 3783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ebv_0o7.sdf -rw-rw-r-- root/root 4303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ebw_0pf.sdf -rw-rw-r-- root/root 5083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ec0_7pq.sdf -rw-rw-r-- root/root 4268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ec3_ren.sdf -rw-rw-r-- root/root 15570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ec4_0o6.sdf -rw-rw-r-- root/root 5850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ec4_2pe.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ec4_p33.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ece_gun.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ecv_dtp.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ed2_dtp.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ed8_dtp.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4edh_tmp.sdf -rw-rw-r-- root/root 5000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4edy_9pq.sdf -rw-rw-r-- root/root 4823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4edz_0o5.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ee0_0o4.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ee4_udp.sdf -rw-rw-r-- root/root 2756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eeq_0ox.sdf -rw-rw-r-- root/root 5823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eev_l1x.sdf -rw-rw-r-- root/root 2233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ef6_i2e.sdf -rw-rw-r-- root/root 4091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4efb_0ow.sdf -rw-rw-r-- root/root 3844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4efe_0ov.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4efh_adp.sdf -rw-rw-r-- root/root 1867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4efk_0oc.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4efs_e37.sdf -rw-rw-r-- root/root 4751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4efu_efu.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4egr_pep.sdf -rw-rw-r-- root/root 3980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eh9_0oq.sdf -rw-rw-r-- root/root 3980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ehe_ri8.sdf -rw-rw-r-- root/root 4476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ehg_ri9.sdf -rw-rw-r-- root/root 8184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ehr_0q5.sdf -rw-rw-r-- root/root 3314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ehz_jak.sdf -rw-rw-r-- root/root 3491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ei4_0q2.sdf -rw-rw-r-- root/root 3224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ein_noh.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eix_imn.sdf -rw-rw-r-- root/root 3078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eix_nim.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eiy_ola.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eiy_zma.sdf -rw-rw-r-- root/root 5249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ej4_ej4.sdf -rw-rw-r-- root/root 2379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ejg_nct.sdf -rw-rw-r-- root/root 2561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ejh_0qa.sdf -rw-rw-r-- root/root 2379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ejj_nct.sdf -rw-rw-r-- root/root 6332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ejn_0r4.sdf -rw-rw-r-- root/root 2450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ek1_cam.sdf -rw-rw-r-- root/root 3567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ek9_ep4.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ekd_gdp.sdf -rw-rw-r-- root/root 6581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ekg_0qj.sdf -rw-rw-r-- root/root 7188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eki_0qk.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ekk_anp.sdf -rw-rw-r-- root/root 5780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ekl_0rf.sdf -rw-rw-r-- root/root 1412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4elc_lmr.sdf -rw-rw-r-- root/root 5250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4elt_0r5.sdf -rw-rw-r-- root/root 5333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4elu_0r6.sdf -rw-rw-r-- root/root 5226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4elv_0r7.sdf -rw-rw-r-- root/root 3141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4em7_0ra.sdf -rw-rw-r-- root/root 4402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4emf_m7g.sdf -rw-rw-r-- root/root 4796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4emr_mgp.sdf -rw-rw-r-- root/root 6468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4emt_c2e.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4emv_0r9.sdf -rw-rw-r-- root/root 2374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4en4_gt0.sdf -rw-rw-r-- root/root 3888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4enh_fvx.sdf -rw-rw-r-- root/root 3309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4enx_z20.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eny_j19.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eo4_ssa.sdf -rw-rw-r-- root/root 5210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eo6_0s2.sdf -rw-rw-r-- root/root 5127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eo8_0s3.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eoc_bla.sdf -rw-rw-r-- root/root 1971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eoh_tep.sdf -rw-rw-r-- root/root 5330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eox_0s5.sdf -rw-rw-r-- root/root 5055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ep9_0rd.sdf -rw-rw-r-- root/root 5066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eph_0rk.sdf -rw-rw-r-- root/root 4646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4epl_jai.sdf -rw-rw-r-- root/root 2482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ept_0qw.sdf -rw-rw-r-- root/root 2907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4epv_0qx.sdf -rw-rw-r-- root/root 3132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4epw_0qv.sdf -rw-rw-r-- root/root 2621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4epx_0qr.sdf -rw-rw-r-- root/root 4419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4epy_0qy.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eq1_pe5.sdf -rw-rw-r-- root/root 6132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eqc_xr1.sdf -rw-rw-r-- root/root 5255 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eqe_kaa.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eqg_a5a.sdf -rw-rw-r-- root/root 5589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eqh_wsa.sdf -rw-rw-r-- root/root 6078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4equ_g6i.sdf -rw-rw-r-- root/root 6321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eqz_aw0.sdf -rw-rw-r-- root/root 7101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4er0_aw1.sdf -rw-rw-r-- root/root 7205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4er6_aw2.sdf -rw-rw-r-- root/root 6419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4er7_aw3.sdf -rw-rw-r-- root/root 5960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ere_0r2.sdf -rw-rw-r-- root/root 5513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4erf_0r3.sdf -rw-rw-r-- root/root 3655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4erk_olo.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4es5_mgt.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4esh_thm.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4esi_0rb.sdf -rw-rw-r-- root/root 5479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eut_bx7.sdf -rw-rw-r-- root/root 5432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ew2_dxy.sdf -rw-rw-r-- root/root 5432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ew3_dxz.sdf -rw-rw-r-- root/root 5732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ewh_t77.sdf -rw-rw-r-- root/root 3732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ewn_0vr.sdf -rw-rw-r-- root/root 4692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ewq_mwl.sdf -rw-rw-r-- root/root 6017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ews_0rp.sdf -rw-rw-r-- root/root 11006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ews_2ob.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ews_pge.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4exs_x8z.sdf -rw-rw-r-- root/root 4453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ey2_0rm.sdf -rw-rw-r-- root/root 3287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ey5_hup.sdf -rw-rw-r-- root/root 3833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ey6_gnt.sdf -rw-rw-r-- root/root 5156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ey7_e20.sdf -rw-rw-r-- root/root 4573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eyb_0wo.sdf -rw-rw-r-- root/root 3998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eyf_pnk.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eyh_dcp.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eyi_dtp.sdf -rw-rw-r-- root/root 4543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eyj_n61.sdf -rw-rw-r-- root/root 4702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eyl_0rv.sdf -rw-rw-r-- root/root 4401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eym_0rx.sdf -rw-rw-r-- root/root 4915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4eyw_l0r.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ez4_oga.sdf -rw-rw-r-- root/root 5759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ez5_0rs.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ez6_dg3.sdf -rw-rw-r-- root/root 4840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ez8_dhf.sdf -rw-rw-r-- root/root 3224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ez8_noh.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ezh_oga.sdf -rw-rw-r-- root/root 6350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ezj_0sc.sdf -rw-rw-r-- root/root 6253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ezk_0sd.sdf -rw-rw-r-- root/root 5982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ezl_0se.sdf -rw-rw-r-- root/root 3055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f08_1rs.sdf -rw-rw-r-- root/root 3314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f09_jak.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f0a_pam.sdf -rw-rw-r-- root/root 2988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f0e_0ru.sdf -rw-rw-r-- root/root 3895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f0x_0or.sdf -rw-rw-r-- root/root 2515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f1l_0ry.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f1m_acp.sdf -rw-rw-r-- root/root 2515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f1q_0rz.sdf -rw-rw-r-- root/root 5128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f1s_f1s.sdf -rw-rw-r-- root/root 3910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f1t_h52.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f1w_ade.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f1w_pg4.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f1w_pge.sdf -rw-rw-r-- root/root 5405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f2a_0sf.sdf -rw-rw-r-- root/root 11006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f2a_2ob.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f2a_pge.sdf -rw-rw-r-- root/root 1999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f2d_rb0.sdf -rw-rw-r-- root/root 4531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f2p_2el.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f2r_ctp.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f2v_lmu.sdf -rw-rw-r-- root/root 3557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f2w_tdi.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f38_ger.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f3i_0s6.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f3k_hce.sdf -rw-rw-r-- root/root 6915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f45_dn4.sdf -rw-rw-r-- root/root 6915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f46_dn4.sdf -rw-rw-r-- root/root 5867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f46_dvn.sdf -rw-rw-r-- root/root 6432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f4b_l39.sdf -rw-rw-r-- root/root 6161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f4d_chd.sdf -rw-rw-r-- root/root 4502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f4p_0sb.sdf -rw-rw-r-- root/root 2667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f5b_ptr.sdf -rw-rw-r-- root/root 6468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f5d_c2e.sdf -rw-rw-r-- root/root 4236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f5n_6cf.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f5v_pge.sdf -rw-rw-r-- root/root 6468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f5y_c2e.sdf -rw-rw-r-- root/root 3593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f63_0s7.sdf -rw-rw-r-- root/root 4207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f64_0s8.sdf -rw-rw-r-- root/root 4502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f65_0s9.sdf -rw-rw-r-- root/root 3630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f6s_0sq.sdf -rw-rw-r-- root/root 5568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f6u_0sr.sdf -rw-rw-r-- root/root 4194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f6v_fjp.sdf -rw-rw-r-- root/root 1503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f6v_srt.sdf -rw-rw-r-- root/root 4026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f6v_zym.sdf -rw-rw-r-- root/root 8614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f6w_0ss.sdf -rw-rw-r-- root/root 1503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f6x_tar.sdf -rw-rw-r-- root/root 4358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f6x_zyl.sdf -rw-rw-r-- root/root 5308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f70_0st.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f7j_0su.sdf -rw-rw-r-- root/root 5909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f7l_0so.sdf -rw-rw-r-- root/root 5024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f7n_0sv.sdf -rw-rw-r-- root/root 3134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f7s_0sw.sdf -rw-rw-r-- root/root 6737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f7v_j1d.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f7w_adp.sdf -rw-rw-r-- root/root 4278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f7w_pn4.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f84_sam.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f86_sfg.sdf -rw-rw-r-- root/root 1891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f8b_gd1.sdf -rw-rw-r-- root/root 2932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f8h_rke.sdf -rw-rw-r-- root/root 3304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f8z_bl2.sdf -rw-rw-r-- root/root 1772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f92_san.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f9a_adp.sdf -rw-rw-r-- root/root 2529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f9b_0sy.sdf -rw-rw-r-- root/root 3000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f9c_0sx.sdf -rw-rw-r-- root/root 5953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4f9m_fcm.sdf -rw-rw-r-- root/root 4397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fa2_sb0.sdf -rw-rw-r-- root/root 3591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fa3_0sl.sdf -rw-rw-r-- root/root 3762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fa6_0ta.sdf -rw-rw-r-- root/root 4232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fad_0tb.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fal_0t0.sdf -rw-rw-r-- root/root 3425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fam_0sz.sdf -rw-rw-r-- root/root 13328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fap_ard.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fbt_dgt.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fbt_gtp.sdf -rw-rw-r-- root/root 5881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fc0_0t2.sdf -rw-rw-r-- root/root 4936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fcb_0t7.sdf -rw-rw-r-- root/root 3705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fcd_0t6.sdf -rw-rw-r-- root/root 2752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fce_gp1.sdf -rw-rw-r-- root/root 1304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fcf_tau.sdf -rw-rw-r-- root/root 1835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fci_gpa.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fcr_0tm.sdf -rw-rw-r-- root/root 3452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fdo_0t5.sdf -rw-rw-r-- root/root 7832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fe6_0tq.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4feg_tdm.sdf -rw-rw-r-- root/root 5949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4feq_0t8.sdf -rw-rw-r-- root/root 6679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fes_0t9.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ff7_pga.sdf -rw-rw-r-- root/root 6134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ff8_14s.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ffs_big.sdf -rw-rw-r-- root/root 3982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ffw_715.sdf -rw-rw-r-- root/root 1725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fgc_pq0.sdf -rw-rw-r-- root/root 6873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fgg_0u5.sdf -rw-rw-r-- root/root 6613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fgh_0u6.sdf -rw-rw-r-- root/root 3615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fgj_1pq.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fgk_0tx.sdf -rw-rw-r-- root/root 4313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fgl_clq.sdf -rw-rw-r-- root/root 2414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fh2_0rn.sdf -rw-rw-r-- root/root 6429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fhh_0u3.sdf -rw-rw-r-- root/root 6429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fhi_0s4.sdf -rw-rw-r-- root/root 3349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fhj_0tz.sdf -rw-rw-r-- root/root 4092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fhk_0u0.sdf -rw-rw-r-- root/root 3978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fia_0u9.sdf -rw-rw-r-- root/root 2363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fic_0ul.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fie_anp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fif_anp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fig_anp.sdf -rw-rw-r-- root/root 3700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fim_cel.sdf -rw-rw-r-- root/root 10382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fiv_lp1.sdf -rw-rw-r-- root/root 2849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fjp_nps.sdf -rw-rw-r-- root/root 5834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fjy_fjy.sdf -rw-rw-r-- root/root 6210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fjz_4fj.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fk3_325.sdf -rw-rw-r-- root/root 4224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fk6_0uj.sdf -rw-rw-r-- root/root 3585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fk7_p34.sdf -rw-rw-r-- root/root 4723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fkj_11k.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fkk_bes.sdf -rw-rw-r-- root/root 3658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fkr_45k.sdf -rw-rw-r-- root/root 3900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fks_46k.sdf -rw-rw-r-- root/root 4458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fkt_48k.sdf -rw-rw-r-- root/root 4702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fkv_61k.sdf -rw-rw-r-- root/root 4493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fkw_62k.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fl1_anp.sdf -rw-rw-r-- root/root 5396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fl6_uwn.sdf -rw-rw-r-- root/root 1316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fl9_tmo.sdf -rw-rw-r-- root/root 5825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4flh_14k.sdf -rw-rw-r-- root/root 4291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fli_y16.sdf -rw-rw-r-- root/root 6065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4flj_y08.sdf -rw-rw-r-- root/root 5203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4flk_y10.sdf -rw-rw-r-- root/root 6004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fll_yz6.sdf -rw-rw-r-- root/root 5214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4flp_jq1.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fls_suc.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fm5_bog.sdf -rw-rw-r-- root/root 2594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fm5_df0.sdf -rw-rw-r-- root/root 5874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fm7_0up.sdf -rw-rw-r-- root/root 5772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fm8_0uq.sdf -rw-rw-r-- root/root 2616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fmx_cnl.sdf -rw-rw-r-- root/root 1516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fnc_hmu.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fnn_ste.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fns_dgj.sdf -rw-rw-r-- root/root 5952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fnt_raf.sdf -rw-rw-r-- root/root 4632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fny_i3k.sdf -rw-rw-r-- root/root 6354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fnz_nzf.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fo6_f2a.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4foa_ufp.sdf -rw-rw-r-- root/root 7117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fob_0us.sdf -rw-rw-r-- root/root 6235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4foc_0uu.sdf -rw-rw-r-- root/root 7721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fod_0uv.sdf -rw-rw-r-- root/root 5266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fog_c2f.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fog_ufp.sdf -rw-rw-r-- root/root 2855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4for_flp.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fos_skm.sdf -rw-rw-r-- root/root 4923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fox_d16.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fox_ump.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fp1_bfm.sdf -rw-rw-r-- root/root 5621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fps_0ux.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fq8_skm.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fqf_nad.sdf -rw-rw-r-- root/root 4946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fqo_az3.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fqs_lya.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fqs_ump.sdf -rw-rw-r-- root/root 4887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fr1_0v2.sdf -rw-rw-r-- root/root 7055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fr3_0v4.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fr4_stu.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fr5_skm.sdf -rw-rw-r-- root/root 5075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fr6_0v3.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fr8_adp.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fr8_nad.sdf -rw-rw-r-- root/root 1941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fr8_tng.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fs1_ttp.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fs2_dcp.sdf -rw-rw-r-- root/root 4657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fs3_0we.sdf -rw-rw-r-- root/root 4509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fse_0va.sdf -rw-rw-r-- root/root 5206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fsl_0vb.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fsm_hk1.sdf -rw-rw-r-- root/root 4344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fsq_hk3.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fsr_hkc.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fst_hk4.sdf -rw-rw-r-- root/root 4165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fsu_hk5.sdf -rw-rw-r-- root/root 3706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fsy_hk7.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ft0_hk9.sdf -rw-rw-r-- root/root 3689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ft5_h2k.sdf -rw-rw-r-- root/root 3949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ft7_h3k.sdf -rw-rw-r-- root/root 3358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fta_h5k.sdf -rw-rw-r-- root/root 3169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ftc_h6k.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fti_h7k.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ftj_h8k.sdf -rw-rw-r-- root/root 3897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ftk_h9k.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ftl_h0k.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ftm_1hk.sdf -rw-rw-r-- root/root 6093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ftn_2hk.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fto_3hk.sdf -rw-rw-r-- root/root 4415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ftq_4hk.sdf -rw-rw-r-- root/root 5061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ftr_5hk.sdf -rw-rw-r-- root/root 4141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ftt_6hk.sdf -rw-rw-r-- root/root 4235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ftu_7hk.sdf -rw-rw-r-- root/root 3209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fu7_1up.sdf -rw-rw-r-- root/root 2151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fu8_2up.sdf -rw-rw-r-- root/root 3420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fu9_675.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fua_pgh.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fub_4up.sdf -rw-rw-r-- root/root 3857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fuc_239.sdf -rw-rw-r-- root/root 2325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fud_6up.sdf -rw-rw-r-- root/root 4040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fue_7up.sdf -rw-rw-r-- root/root 3376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fuf_8up.sdf -rw-rw-r-- root/root 2867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fug_9up.sdf -rw-rw-r-- root/root 3587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fuh_1u2.sdf -rw-rw-r-- root/root 4015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fuj_1u9.sdf -rw-rw-r-- root/root 4931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ful_0vu.sdf -rw-rw-r-- root/root 4380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fux_e75.sdf -rw-rw-r-- root/root 3882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fuy_ek2.sdf -rw-rw-r-- root/root 4203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fv0_ek3.sdf -rw-rw-r-- root/root 4692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fv1_ek4.sdf -rw-rw-r-- root/root 4519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fv2_ek5.sdf -rw-rw-r-- root/root 5929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fv3_ek6.sdf -rw-rw-r-- root/root 3962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fv4_ek7.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fv5_ek9.sdf -rw-rw-r-- root/root 5166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fv6_e57.sdf -rw-rw-r-- root/root 5837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fv7_e94.sdf -rw-rw-r-- root/root 4976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fv8_e63.sdf -rw-rw-r-- root/root 3749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fv9_e71.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fvq_atp.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fvt_cna.sdf -rw-rw-r-- root/root 3939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fw3_l52.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fw4_3p3.sdf -rw-rw-r-- root/root 3750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fw5_l58.sdf -rw-rw-r-- root/root 3928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fw6_l59.sdf -rw-rw-r-- root/root 3740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fw7_l63.sdf -rw-rw-r-- root/root 1049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fwb_3kp.sdf -rw-rw-r-- root/root 2796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fxa_aag.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fxq_g9l.sdf -rw-rw-r-- root/root 6438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fxy_0w2.sdf -rw-rw-r-- root/root 4061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fyh_tr5.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fyk_sra.sdf -rw-rw-r-- root/root 4751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fyn_0ve.sdf -rw-rw-r-- root/root 5599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fyo_0vf.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fyr_bes.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fyv_dcp.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fyx_dcp.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fyy_ctp.sdf -rw-rw-r-- root/root 4587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fz6_0vg.sdf -rw-rw-r-- root/root 4622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fz7_0vh.sdf -rw-rw-r-- root/root 3338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fzb_0vj.sdf -rw-rw-r-- root/root 1985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4fzj_0w1.sdf -rw-rw-r-- root/root 4191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g09_0vd.sdf -rw-rw-r-- root/root 5110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g0k_0vs.sdf -rw-rw-r-- root/root 4326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g0u_asw.sdf -rw-rw-r-- root/root 5444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g0v_mix.sdf -rw-rw-r-- root/root 5256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g0w_ake.sdf -rw-rw-r-- root/root 3760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g11_0w7.sdf -rw-rw-r-- root/root 3829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g16_0vm.sdf -rw-rw-r-- root/root 3661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g17_0vn.sdf -rw-rw-r-- root/root 6451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g1d_0vk.sdf -rw-rw-r-- root/root 3687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g1f_0wg.sdf -rw-rw-r-- root/root 5159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g1n_nzt.sdf -rw-rw-r-- root/root 5232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g1w_g1w.sdf -rw-rw-r-- root/root 2363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g1x_tqu.sdf -rw-rw-r-- root/root 5730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g1y_0vo.sdf -rw-rw-r-- root/root 6711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g1z_0vp.sdf -rw-rw-r-- root/root 6618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g20_484.sdf -rw-rw-r-- root/root 2043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g28_0w8.sdf -rw-rw-r-- root/root 3857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g2f_c07.sdf -rw-rw-r-- root/root 2811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g2g_tdh.sdf -rw-rw-r-- root/root 5447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g2h_0vq.sdf -rw-rw-r-- root/root 5447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g2i_0vq.sdf -rw-rw-r-- root/root 4829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g2j_0wf.sdf -rw-rw-r-- root/root 4576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g2l_0wl.sdf -rw-rw-r-- root/root 2267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g2o_tiy.sdf -rw-rw-r-- root/root 3254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g2r_h1l.sdf -rw-rw-r-- root/root 5682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g2w_ni0.sdf -rw-rw-r-- root/root 5269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g2y_ni5.sdf -rw-rw-r-- root/root 3028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g2z_id8.sdf -rw-rw-r-- root/root 5397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g37_slu.sdf -rw-rw-r-- root/root 3981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g3e_0wc.sdf -rw-rw-r-- root/root 3001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g3f_0wb.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g3g_0wa.sdf -rw-rw-r-- root/root 3482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g3m_ai9.sdf -rw-rw-r-- root/root 2151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g44_tzm.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g45_mqn.sdf -rw-rw-r-- root/root 1985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g46_tty.sdf -rw-rw-r-- root/root 1808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g47_tzf.sdf -rw-rw-r-- root/root 2988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g48_pzb.sdf -rw-rw-r-- root/root 4002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g55_vh2.sdf -rw-rw-r-- root/root 1985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g5f_0jd.sdf -rw-rw-r-- root/root 1985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g5f_15n.sdf -rw-rw-r-- root/root 3783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g5i_db7.sdf -rw-rw-r-- root/root 5388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g5j_0wm.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g5q_gdp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g5r_gdp.sdf -rw-rw-r-- root/root 1867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g5y_0oc.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g5y_atp.sdf -rw-rw-r-- root/root 5416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g6g_trt.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g6h_nai.sdf -rw-rw-r-- root/root 4735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g6i_rs3.sdf -rw-rw-r-- root/root 2683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g6n_ek0.sdf -rw-rw-r-- root/root 5235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g6o_e28.sdf -rw-rw-r-- root/root 1431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g6w_pbx.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g73_nai.sdf -rw-rw-r-- root/root 7795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g73_uq5.sdf -rw-rw-r-- root/root 7795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g74_uq5.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g77_tlf.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g86_bnt.sdf -rw-rw-r-- root/root 6009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g87_ud1.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g89_ade.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g89_sah.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g8h_lcf.sdf -rw-rw-r-- root/root 2115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g8n_g8m.sdf -rw-rw-r-- root/root 5603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g8r_96p.sdf -rw-rw-r-- root/root 3505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g8v_0ey.sdf -rw-rw-r-- root/root 3765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g8y_0ft.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g8z_top.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g90_0g0.sdf -rw-rw-r-- root/root 3173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g95_oag.sdf -rw-rw-r-- root/root 5160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g9c_0wp.sdf -rw-rw-r-- root/root 2577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g9p_cdi.sdf -rw-rw-r-- root/root 5387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4g9r_b1e.sdf -rw-rw-r-- root/root 3562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ga3_4ga.sdf -rw-rw-r-- root/root 2442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ga8_sbi.sdf -rw-rw-r-- root/root 2819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gab_fid.sdf -rw-rw-r-- root/root 3014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gae_fob.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gap_nad.sdf -rw-rw-r-- root/root 4393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gav_uq2.sdf -rw-rw-r-- root/root 4900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gb1_0lp.sdf -rw-rw-r-- root/root 6022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gb2_0lq.sdf -rw-rw-r-- root/root 7035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gb9_0wr.sdf -rw-rw-r-- root/root 2106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gbu_0wv.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gbu_fmn.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gbw_f6p.sdf -rw-rw-r-- root/root 4523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gc6_0oh.sdf -rw-rw-r-- root/root 4523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gc7_0oj.sdf -rw-rw-r-- root/root 3532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gca_2x9.sdf -rw-rw-r-- root/root 3251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gch_dmc.sdf -rw-rw-r-- root/root 4198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gcq_0jm.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gd4_0ws.sdf -rw-rw-r-- root/root 2267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gd7_tiy.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gdp_pg4.sdf -rw-rw-r-- root/root 5433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gdy_0x1.sdf -rw-rw-r-- root/root 4583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ge4_0ke.sdf -rw-rw-r-- root/root 5232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ge7_0k5.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ge8_0wu.sdf -rw-rw-r-- root/root 5753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ge9_0l0.sdf -rw-rw-r-- root/root 4878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4geb_0ld.sdf -rw-rw-r-- root/root 4067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gee_0wt.sdf -rw-rw-r-- root/root 5288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gev_cb3.sdf -rw-rw-r-- root/root 3214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gev_umc.sdf -rw-rw-r-- root/root 6510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gfd_0yb.sdf -rw-rw-r-- root/root 4622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gfg_0xf.sdf -rw-rw-r-- root/root 2443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gfm_0x2.sdf -rw-rw-r-- root/root 4067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gfn_suy.sdf -rw-rw-r-- root/root 2443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gfo_0x2.sdf -rw-rw-r-- root/root 4986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gg5_0j3.sdf -rw-rw-r-- root/root 5286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gg7_0j8.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gg9_0ww.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ggc_mrd.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ggl_cjc.sdf -rw-rw-r-- root/root 10393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gh0_eis.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gh0_mys.sdf -rw-rw-r-- root/root 4718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gh1_0wx.sdf -rw-rw-r-- root/root 5687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gh2_hk0.sdf -rw-rw-r-- root/root 3564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gh3_0ev.sdf -rw-rw-r-- root/root 4857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gh6_luo.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gh8_mtx.sdf -rw-rw-r-- root/root 2610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ghi_0x3.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ghm_prf.sdf -rw-rw-r-- root/root 10393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ghp_eis.sdf -rw-rw-r-- root/root 2348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ghr_ite.sdf -rw-rw-r-- root/root 10769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ghs_0sg.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ghw_dka.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gi1_16y.sdf -rw-rw-r-- root/root 4389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gi4_0ex.sdf -rw-rw-r-- root/root 4059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gi7_0jr.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gi7_adp.sdf -rw-rw-r-- root/root 3346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gih_0x5.sdf -rw-rw-r-- root/root 3450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gii_0x6.sdf -rw-rw-r-- root/root 1489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gim_psu.sdf -rw-rw-r-- root/root 3315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4giu_636.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4giu_prp.sdf -rw-rw-r-- root/root 10769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gix_0sg.sdf -rw-rw-r-- root/root 6056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4giy_0wy.sdf -rw-rw-r-- root/root 3356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gj2_0xh.sdf -rw-rw-r-- root/root 3460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gj3_0xp.sdf -rw-rw-r-- root/root 4282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gj5_0lr.sdf -rw-rw-r-- root/root 4730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gj6_0ls.sdf -rw-rw-r-- root/root 6360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gj7_0lt.sdf -rw-rw-r-- root/root 4188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gj8_0lu.sdf -rw-rw-r-- root/root 3845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gj9_0m2.sdf -rw-rw-r-- root/root 5886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gja_0m3.sdf -rw-rw-r-- root/root 4199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gjb_0me.sdf -rw-rw-r-- root/root 5827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gjc_0mj.sdf -rw-rw-r-- root/root 7221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gjd_0n0.sdf -rw-rw-r-- root/root 13348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gjq_cis.sdf -rw-rw-r-- root/root 4618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gk2_l66.sdf -rw-rw-r-- root/root 4297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gk3_l87.sdf -rw-rw-r-- root/root 4592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gk4_l90.sdf -rw-rw-r-- root/root 3056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gkm_683.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gkm_prp.sdf -rw-rw-r-- root/root 5796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gkt_0o1.sdf -rw-rw-r-- root/root 4880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gl5_g29.sdf -rw-rw-r-- root/root 1550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4glb_xxh.sdf -rw-rw-r-- root/root 2375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4glx_0xs.sdf -rw-rw-r-- root/root 2822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gm5_0x9.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gm7_hci.sdf -rw-rw-r-- root/root 3439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gmd_atm.sdf -rw-rw-r-- root/root 3346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gmy_0x5.sdf -rw-rw-r-- root/root 1853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gn6_tyl.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gn8_aso.sdf -rw-rw-r-- root/root 1906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gna_xyl.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gnp_gdp.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gnp_pep.sdf -rw-rw-r-- root/root 3818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gny_sds.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gpc_asc.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gpc_bla.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gpf_bla.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gpj_0q1.sdf -rw-rw-r-- root/root 3388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gq0_qap.sdf -rw-rw-r-- root/root 4544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gq3_0ro.sdf -rw-rw-r-- root/root 4317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gq4_0rt.sdf -rw-rw-r-- root/root 3381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gqi_m49.sdf -rw-rw-r-- root/root 7895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gql_r47.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gqn_ini.sdf -rw-rw-r-- root/root 3098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gqr_myc.sdf -rw-rw-r-- root/root 3414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gqs_0xv.sdf -rw-rw-r-- root/root 6815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gr0_r4b.sdf -rw-rw-r-- root/root 6981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gr3_r45.sdf -rw-rw-r-- root/root 5901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gr8_r4c.sdf -rw-rw-r-- root/root 2861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gr9_372.sdf -rw-rw-r-- root/root 4229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4grb_0xg.sdf -rw-rw-r-- root/root 2964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4grk_ktr.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4grq_avl.sdf -rw-rw-r-- root/root 3091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4grr_avr.sdf -rw-rw-r-- root/root 1311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gru_dio.sdf -rw-rw-r-- root/root 5067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gs8_mgj.sdf -rw-rw-r-- root/root 4912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gsf_mgh.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gss_gtx.sdf -rw-rw-r-- root/root 5088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gst_gtd.sdf -rw-rw-r-- root/root 4774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gsu_dwz.sdf -rw-rw-r-- root/root 5492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gsy_0y5.sdf -rw-rw-r-- root/root 5112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gt9_mef.sdf -rw-rw-r-- root/root 8136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gtm_7tm.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gtm_fpp.sdf -rw-rw-r-- root/root 6786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gto_7to.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gto_fpp.sdf -rw-rw-r-- root/root 6943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gtp_7tp.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gtp_fpp.sdf -rw-rw-r-- root/root 7745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gtq_7tq.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gtq_fpp.sdf -rw-rw-r-- root/root 7616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gtr_7tr.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gtr_fpp.sdf -rw-rw-r-- root/root 6943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gts_7tp.sdf -rw-rw-r-- root/root 7745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gtt_7tq.sdf -rw-rw-r-- root/root 7616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gtv_7tr.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gu6_10n.sdf -rw-rw-r-- root/root 2365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gu9_4gu.sdf -rw-rw-r-- root/root 4513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gub_0y4.sdf -rw-rw-r-- root/root 4776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gue_qct.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gui_qic.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4guj_skm.sdf -rw-rw-r-- root/root 10061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4guw_lp5.sdf -rw-rw-r-- root/root 3181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4guy_klj.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gv0_8me.sdf -rw-rw-r-- root/root 5011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gv1_0xz.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gv2_5me.sdf -rw-rw-r-- root/root 3945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gv4_mej.sdf -rw-rw-r-- root/root 1892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gv7_mew.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gva_adp.sdf -rw-rw-r-- root/root 2633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gvf_ndg.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gvj_adp.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gvm_lf2.sdf -rw-rw-r-- root/root 10769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gvt_0sg.sdf -rw-rw-r-- root/root 3364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gw8_3ra.sdf -rw-rw-r-- root/root 2541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gwd_abh.sdf -rw-rw-r-- root/root 2282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gwe_07v.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gwf_pge.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gwk_3pg.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gww_f6p.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gwy_amp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gwz_amp.sdf -rw-rw-r-- root/root 10393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gxg_eis.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gxk_f2a.sdf -rw-rw-r-- root/root 2106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gxm_0wv.sdf -rw-rw-r-- root/root 4824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gxs_0ys.sdf -rw-rw-r-- root/root 2580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gy9_zip.sdf -rw-rw-r-- root/root 2873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gyz_d5m.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gzl_gnp.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4gzm_gsp.sdf -rw-rw-r-- root/root 2034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h0w_nta.sdf -rw-rw-r-- root/root 3340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h0z_amu.sdf -rw-rw-r-- root/root 4974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h1e_10j.sdf -rw-rw-r-- root/root 5802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h1j_0yh.sdf -rw-rw-r-- root/root 6062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h1m_0yj.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h1n_cge.sdf -rw-rw-r-- root/root 6785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h1n_cm5.sdf -rw-rw-r-- root/root 5101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h1y_0yq.sdf -rw-rw-r-- root/root 4617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2b_0xe.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2f_adn.sdf -rw-rw-r-- root/root 2225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2h_0xw.sdf -rw-rw-r-- root/root 4050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2i_a12.sdf -rw-rw-r-- root/root 5385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2j_0yu.sdf -rw-rw-r-- root/root 4758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2m_0yv.sdf -rw-rw-r-- root/root 5623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2o_0yw.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2s_amp.sdf -rw-rw-r-- root/root 4051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2s_pns.sdf -rw-rw-r-- root/root 4042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2t_g5a.sdf -rw-rw-r-- root/root 4051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2t_pns.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2u_atp.sdf -rw-rw-r-- root/root 4051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2u_pns.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2v_amp.sdf -rw-rw-r-- root/root 4554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2v_h2v.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2w_5gp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2w_amp.sdf -rw-rw-r-- root/root 4051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2w_pns.sdf -rw-rw-r-- root/root 4042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2x_g5a.sdf -rw-rw-r-- root/root 4051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2x_pns.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2y_atp.sdf -rw-rw-r-- root/root 4051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2y_pns.sdf -rw-rw-r-- root/root 10393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2z_eis.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h2z_mys.sdf -rw-rw-r-- root/root 10107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h30_0zd.sdf -rw-rw-r-- root/root 5055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h38_0yx.sdf -rw-rw-r-- root/root 4240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h3a_0yy.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h3c_0yz.sdf -rw-rw-r-- root/root 5048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h3f_10o.sdf -rw-rw-r-- root/root 4799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h3g_10q.sdf -rw-rw-r-- root/root 5048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h3i_10v.sdf -rw-rw-r-- root/root 4789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h3j_10w.sdf -rw-rw-r-- root/root 2428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h42_11e.sdf -rw-rw-r-- root/root 10461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h49_l29.sdf -rw-rw-r-- root/root 2387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h4c_10d.sdf -rw-rw-r-- root/root 2554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h4d_10e.sdf -rw-rw-r-- root/root 2471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h4e_10g.sdf -rw-rw-r-- root/root 2106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h4i_0wv.sdf -rw-rw-r-- root/root 4177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h4m_494.sdf -rw-rw-r-- root/root 4177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h4o_506.sdf -rw-rw-r-- root/root 1751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h55_bdr.sdf -rw-rw-r-- root/root 4751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h58_10z.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h5e_ipr.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h5t_adp.sdf -rw-rw-r-- root/root 1830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h5w_bet.sdf -rw-rw-r-- root/root 3591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h6o_nee.sdf -rw-rw-r-- root/root 2387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h71_pxe.sdf -rw-rw-r-- root/root 4106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h76_10b.sdf -rw-rw-r-- root/root 3840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h7c_10h.sdf -rw-rw-r-- root/root 3617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h80_04t.sdf -rw-rw-r-- root/root 1961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h81_wj2.sdf -rw-rw-r-- root/root 5623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h84_y38.sdf -rw-rw-r-- root/root 1830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h85_hri.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h8e_fpp.sdf -rw-rw-r-- root/root 4371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h8i_11w.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h95_06u.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h96_14q.sdf -rw-rw-r-- root/root 4726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h97_53s.sdf -rw-rw-r-- root/root 1181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4h9g_14j.sdf -rw-rw-r-- root/root 5557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hai_i23.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hb0_gnp.sdf -rw-rw-r-- root/root 4993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hbm_0y7.sdf -rw-rw-r-- root/root 2208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hco_imw.sdf -rw-rw-r-- root/root 3199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hcq_gn1.sdf -rw-rw-r-- root/root 6525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hct_18r.sdf -rw-rw-r-- root/root 2776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hd8_pit.sdf -rw-rw-r-- root/root 2681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hda_stl.sdf -rw-rw-r-- root/root 6251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hdc_13y.sdf -rw-rw-r-- root/root 6054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hee_14r.sdf -rw-rw-r-- root/root 5201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hej_14d.sdf -rw-rw-r-- root/root 5112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4heu_15j.sdf -rw-rw-r-- root/root 3090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hev_axm.sdf -rw-rw-r-- root/root 5205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hf4_15h.sdf -rw-rw-r-- root/root 2126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hfn_ciy.sdf -rw-rw-r-- root/root 5561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hfr_14m.sdf -rw-rw-r-- root/root 6366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hg7_nut.sdf -rw-rw-r-- root/root 3539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hge_15v.sdf -rw-rw-r-- root/root 1502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hgf_syn.sdf -rw-rw-r-- root/root 1502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hgg_syn.sdf -rw-rw-r-- root/root 1502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hgh_syn.sdf -rw-rw-r-- root/root 4165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hgl_0yo.sdf -rw-rw-r-- root/root 4151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hgs_15g.sdf -rw-rw-r-- root/root 4151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hgt_15g.sdf -rw-rw-r-- root/root 6696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hhy_15r.sdf -rw-rw-r-- root/root 5827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hhz_15s.sdf -rw-rw-r-- root/root 3329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hib_16b.sdf -rw-rw-r-- root/root 3484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hiq_16v.sdf -rw-rw-r-- root/root 6555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hj2_lz6.sdf -rw-rw-r-- root/root 1714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hjl_15o.sdf -rw-rw-r-- root/root 4731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hjo_aq4.sdf -rw-rw-r-- root/root 3744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hju_16l.sdf -rw-rw-r-- root/root 2230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hjx_f2y.sdf -rw-rw-r-- root/root 3329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hkp_tkw.sdf -rw-rw-r-- root/root 1514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hkv_unu.sdf -rw-rw-r-- root/root 3133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hky_fpm.sdf -rw-rw-r-- root/root 3289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hky_sfr.sdf -rw-rw-r-- root/root 2989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hl5_15w.sdf -rw-rw-r-- root/root 5481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hlc_t05.sdf -rw-rw-r-- root/root 5044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hld_16t.sdf -rw-rw-r-- root/root 3961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hle_17v.sdf -rw-rw-r-- root/root 2823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hlf_15z.sdf -rw-rw-r-- root/root 2635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hlg_20b.sdf -rw-rw-r-- root/root 2729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hlm_16s.sdf -rw-rw-r-- root/root 3052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hlw_17w.sdf -rw-rw-r-- root/root 2056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hm0_iac.sdf -rw-rw-r-- root/root 1695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hm1_1on.sdf -rw-rw-r-- root/root 1754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hm2_16m.sdf -rw-rw-r-- root/root 1665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hm3_pyj.sdf -rw-rw-r-- root/root 1767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hm4_16n.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hm6_16q.sdf -rw-rw-r-- root/root 1502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hm7_syn.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hm8_16r.sdf -rw-rw-r-- root/root 3348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hmb_pzz.sdf -rw-rw-r-- root/root 2729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hmh_f94.sdf -rw-rw-r-- root/root 3746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hmn_16j.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hms_fmn.sdf -rw-rw-r-- root/root 3154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hmt_nnv.sdf -rw-rw-r-- root/root 2706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hmu_wub.sdf -rw-rw-r-- root/root 5299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hn2_0ej.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hn2_anp.sdf -rw-rw-r-- root/root 3122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hn4_0jo.sdf -rw-rw-r-- root/root 2684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hnc_0ut.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hne_adp.sdf -rw-rw-r-- root/root 3953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hnf_16w.sdf -rw-rw-r-- root/root 3953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hni_16w.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hnw_ihp.sdf -rw-rw-r-- root/root 4892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hnx_g4p.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hoa_lat.sdf -rw-rw-r-- root/root 4470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hof_18h.sdf -rw-rw-r-- root/root 4465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hpj_1d0.sdf -rw-rw-r-- root/root 2566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hpw_3ym.sdf -rw-rw-r-- root/root 3122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hpx_0jo.sdf -rw-rw-r-- root/root 1434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hpx_bzi.sdf -rw-rw-r-- root/root 3220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hqv_qei.sdf -rw-rw-r-- root/root 7481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hra_ep6.sdf -rw-rw-r-- root/root 2505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hry_tam.sdf -rw-rw-r-- root/root 3166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hsg_ktd.sdf -rw-rw-r-- root/root 3220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hsh_qei.sdf -rw-rw-r-- root/root 1339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hsj_6pc.sdf -rw-rw-r-- root/root 1692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hsl_3ha.sdf -rw-rw-r-- root/root 2999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ht2_v50.sdf -rw-rw-r-- root/root 6072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4htx_19f.sdf -rw-rw-r-- root/root 2538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hu1_v13.sdf -rw-rw-r-- root/root 4322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4huo_rs8.sdf -rw-rw-r-- root/root 6114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hup_19m.sdf -rw-rw-r-- root/root 1060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hup_mla.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hur_aco.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hus_pge.sdf -rw-rw-r-- root/root 6580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hus_vir.sdf -rw-rw-r-- root/root 5048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hv3_19l.sdf -rw-rw-r-- root/root 3153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hv7_19j.sdf -rw-rw-r-- root/root 4749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hva_4hv.sdf -rw-rw-r-- root/root 5390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hvb_19p.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hvc_anp.sdf -rw-rw-r-- root/root 3771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hvc_hfg.sdf -rw-rw-r-- root/root 3904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hvd_933.sdf -rw-rw-r-- root/root 3738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hvg_19q.sdf -rw-rw-r-- root/root 3738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hvh_19r.sdf -rw-rw-r-- root/root 4376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hvi_19s.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hvr_sal.sdf -rw-rw-r-- root/root 4164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hvs_647.sdf -rw-rw-r-- root/root 3220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hvx_qei.sdf -rw-rw-r-- root/root 4133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hw2_19h.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hw2_pge.sdf -rw-rw-r-- root/root 4036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hw3_19g.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hw7_64m.sdf -rw-rw-r-- root/root 2610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hwk_sfy.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hwo_409.sdf -rw-rw-r-- root/root 4572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hwp_x16.sdf -rw-rw-r-- root/root 4041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hwr_1b2.sdf -rw-rw-r-- root/root 4323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hws_1b3.sdf -rw-rw-r-- root/root 4041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hwt_1b2.sdf -rw-rw-r-- root/root 4393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hww_x7a.sdf -rw-rw-r-- root/root 2269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hx2_1ax.sdf -rw-rw-r-- root/root 7829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hx5_19v.sdf -rw-rw-r-- root/root 5208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hxl_1a9.sdf -rw-rw-r-- root/root 4061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hxm_1a8.sdf -rw-rw-r-- root/root 4653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hxq_x8a.sdf -rw-rw-r-- root/root 3436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hxs_1a3.sdf -rw-rw-r-- root/root 4432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hxw_1a0.sdf -rw-rw-r-- root/root 5814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hxx_1ay.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hxz_19y.sdf -rw-rw-r-- root/root 7908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hy0_1aq.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hy1_19x.sdf -rw-rw-r-- root/root 7437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hy4_1bg.sdf -rw-rw-r-- root/root 7908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hy5_1aq.sdf -rw-rw-r-- root/root 4945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hyf_1ak.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hyf_nca.sdf -rw-rw-r-- root/root 4972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hyh_1am.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hyi_1ao.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hym_cjc.sdf -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hyp_1a1.sdf -rw-rw-r-- root/root 3855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hys_1bj.sdf -rw-rw-r-- root/root 8356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hyt_ce1.sdf -rw-rw-r-- root/root 7643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hyt_obn.sdf -rw-rw-r-- root/root 5271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hyu_1bk.sdf -rw-rw-r-- root/root 2837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hz0_1av.sdf -rw-rw-r-- root/root 4393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hze_x7a.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hzm_1bw.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4hzt_0za.sdf -rw-rw-r-- root/root 12664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i03_l88.sdf -rw-rw-r-- root/root 4653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i06_x8a.sdf -rw-rw-r-- root/root 4716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i0d_1b7.sdf -rw-rw-r-- root/root 4597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i0e_1b8.sdf -rw-rw-r-- root/root 4586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i0f_1bf.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i0r_1b4.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i0s_1b5.sdf -rw-rw-r-- root/root 4292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i0t_1b6.sdf -rw-rw-r-- root/root 4854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i0z_1bb.sdf -rw-rw-r-- root/root 5222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i10_1bs.sdf -rw-rw-r-- root/root 5364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i1c_1be.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i1n_fol.sdf -rw-rw-r-- root/root 4633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i1r_lzu.sdf -rw-rw-r-- root/root 3167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i23_1c9.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i27_d3t.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i2b_apc.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i2c_apc.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i2d_apc.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i2e_apc.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i2h_apc.sdf -rw-rw-r-- root/root 7911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i2i_ap5.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i2j_dcp.sdf -rw-rw-r-- root/root 4782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i2p_g73.sdf -rw-rw-r-- root/root 4640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i2q_1bt.sdf -rw-rw-r-- root/root 9840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i31_1bv.sdf -rw-rw-r-- root/root 9840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i32_1bv.sdf -rw-rw-r-- root/root 9840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i33_1bv.sdf -rw-rw-r-- root/root 1687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i3p_1cw.sdf -rw-rw-r-- root/root 5444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i41_mix.sdf -rw-rw-r-- root/root 9372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i4b_1cv.sdf -rw-rw-r-- root/root 5390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i4e_1bq.sdf -rw-rw-r-- root/root 5000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i4f_1br.sdf -rw-rw-r-- root/root 8715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i4g_z8z.sdf -rw-rw-r-- root/root 8975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i4h_z9z.sdf -rw-rw-r-- root/root 9207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i56_1cz.sdf -rw-rw-r-- root/root 3525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i5c_c5i.sdf -rw-rw-r-- root/root 5071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i5h_g17.sdf -rw-rw-r-- root/root 3037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i5i_4i5.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i5i_nad.sdf -rw-rw-r-- root/root 6928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i5m_r78.sdf -rw-rw-r-- root/root 4281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i5p_1d1.sdf -rw-rw-r-- root/root 2795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i5x_flf.sdf -rw-rw-r-- root/root 3989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i60_b1r.sdf -rw-rw-r-- root/root 3549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i6b_11g.sdf -rw-rw-r-- root/root 5107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i6f_1c7.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i6g_fad.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i6h_1c8.sdf -rw-rw-r-- root/root 3867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i6q_1dt.sdf -rw-rw-r-- root/root 2000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i6w_1co.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i7e_pep.sdf -rw-rw-r-- root/root 6333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i7f_nve.sdf -rw-rw-r-- root/root 2999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i85_h50.sdf -rw-rw-r-- root/root 4806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i8n_1cg.sdf -rw-rw-r-- root/root 3084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i8v_bhf.sdf -rw-rw-r-- root/root 6862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i8w_g07.sdf -rw-rw-r-- root/root 2250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i8x_6p3.sdf -rw-rw-r-- root/root 6945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i8z_g08.sdf -rw-rw-r-- root/root 6785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i91_cm5.sdf -rw-rw-r-- root/root 2359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i91_tmh.sdf -rw-rw-r-- root/root 7485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i9h_1e4.sdf -rw-rw-r-- root/root 5037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i9i_1dy.sdf -rw-rw-r-- root/root 5256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i9j_xp5.sdf -rw-rw-r-- root/root 2894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i9n_1e5.sdf -rw-rw-r-- root/root 4393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i9n_1e6.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i9t_pge.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i9u_1e7.sdf -rw-rw-r-- root/root 5591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4i9z_5ba.sdf -rw-rw-r-- root/root 6472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ia0_5bb.sdf -rw-rw-r-- root/root 7965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ia1_biv.sdf -rw-rw-r-- root/root 4430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ia9_ia9.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iaa_rtz.sdf -rw-rw-r-- root/root 7282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iaq_2gm.sdf -rw-rw-r-- root/root 7106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iar_erm.sdf -rw-rw-r-- root/root 2580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iav_cxa.sdf -rw-rw-r-- root/root 7106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ib4_erm.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ib6_dao.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ib7_cat.sdf -rw-rw-r-- root/root 3818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ib8_sds.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ib9_cat.sdf -rw-rw-r-- root/root 5136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ibb_1dk.sdf -rw-rw-r-- root/root 4638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ibc_12g.sdf -rw-rw-r-- root/root 4367 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ibd_1dl.sdf -rw-rw-r-- root/root 4118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ibe_11y.sdf -rw-rw-r-- root/root 4118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ibf_1d5.sdf -rw-rw-r-- root/root 5182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ibg_1d6.sdf -rw-rw-r-- root/root 4955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ibi_1d8.sdf -rw-rw-r-- root/root 4942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ibj_1d9.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ibk_1de.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ibl_ben.sdf -rw-rw-r-- root/root 3310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ibm_ir1.sdf -rw-rw-r-- root/root 1712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ic0_gde.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ic7_anp.sdf -rw-rw-r-- root/root 2324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4icc_64i.sdf -rw-rw-r-- root/root 4223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4icl_t27.sdf -rw-rw-r-- root/root 3762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ict_1ed.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4id7_1g0.sdf -rw-rw-r-- root/root 3075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4idt_t28.sdf -rw-rw-r-- root/root 4460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4idv_13v.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4idy_hed.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4idz_oga.sdf -rw-rw-r-- root/root 1621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ie0_pd2.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ie1_1ec.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ie2_1ec.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ie3_1ee.sdf -rw-rw-r-- root/root 1997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ie4_8xq.sdf -rw-rw-r-- root/root 2050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ie5_md6.sdf -rw-rw-r-- root/root 2621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ie6_un9.sdf -rw-rw-r-- root/root 2748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ie7_rhn.sdf -rw-rw-r-- root/root 2507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ie9_pzx.sdf -rw-rw-r-- root/root 9363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ieh_1e9.sdf -rw-rw-r-- root/root 1914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4if7_hcm.sdf -rw-rw-r-- root/root 4258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ifb_pps.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ifc_adp.sdf -rw-rw-r-- root/root 5303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ifh_1ef.sdf -rw-rw-r-- root/root 5389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ifn_12o.sdf -rw-rw-r-- root/root 4474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ig0_1fg.sdf -rw-rw-r-- root/root 4223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ig3_t27.sdf -rw-rw-r-- root/root 1237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ig5_mmz.sdf -rw-rw-r-- root/root 4851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4igh_1ea.sdf -rw-rw-r-- root/root 2982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4igr_3za.sdf -rw-rw-r-- root/root 2324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4igs_64i.sdf -rw-rw-r-- root/root 2982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4igt_3za.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ih3_pdc.sdf -rw-rw-r-- root/root 2532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ih5_12r.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ih6_1ep.sdf -rw-rw-r-- root/root 3093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ih7_1er.sdf -rw-rw-r-- root/root 7607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ihf_1f7.sdf -rw-rw-r-- root/root 3891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ihg_ftt.sdf -rw-rw-r-- root/root 4051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ihg_pns.sdf -rw-rw-r-- root/root 4051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ihh_pns.sdf -rw-rw-r-- root/root 8450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ihl_1f5.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iib_mrd.sdf -rw-rw-r-- root/root 2094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iic_ifm.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iic_mrd.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iid_noj.sdf -rw-rw-r-- root/root 2295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iie_cgb.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iie_mrd.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iif_cts.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iif_mrd.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iih_tcb.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iir_anp.sdf -rw-rw-r-- root/root 4936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iix_1eg.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iiy_1ei.sdf -rw-rw-r-- root/root 2798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ij1_17c.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ij8_sam.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ij9_ptv.sdf -rw-rw-r-- root/root 3316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ijh_1ej.sdf -rw-rw-r-- root/root 3565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ijl_1ek.sdf -rw-rw-r-- root/root 3919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ijp_1eh.sdf -rw-rw-r-- root/root 4203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ijq_sv2.sdf -rw-rw-r-- root/root 3973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iju_1eo.sdf -rw-rw-r-- root/root 3913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ijv_1en.sdf -rw-rw-r-- root/root 3526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ijw_1eq.sdf -rw-rw-r-- root/root 3304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ik2_bl2.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ik7_imn.sdf -rw-rw-r-- root/root 3438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ikf_m76.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ikj_suz.sdf -rw-rw-r-- root/root 4797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ikp_4ik.sdf -rw-rw-r-- root/root 3919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ikr_pvp.sdf -rw-rw-r-- root/root 4053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iks_tfd.sdf -rw-rw-r-- root/root 4053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ikt_tfv.sdf -rw-rw-r-- root/root 4033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iku_shx.sdf -rw-rw-r-- root/root 9416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4il9_plc.sdf -rw-rw-r-- root/root 4373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ilx_1ez.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4imb_1es.sdf -rw-rw-r-- root/root 3682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4imf_si3.sdf -rw-rw-r-- root/root 3699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4img_ngf.sdf -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4imn_1pg.sdf -rw-rw-r-- root/root 5258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4imo_pwz.sdf -rw-rw-r-- root/root 5662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ims_12s.sdf -rw-rw-r-- root/root 5671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4imt_1ew.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4imt_h4b.sdf -rw-rw-r-- root/root 5151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4imu_1et.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4imu_h4b.sdf -rw-rw-r-- root/root 4819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4imw_1ev.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4imw_h4b.sdf -rw-rw-r-- root/root 4819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4imx_1ev.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4imx_h4b.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4imy_amp.sdf -rw-rw-r-- root/root 4687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4in4_4id.sdf -rw-rw-r-- root/root 4583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4inb_1f6.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ini_1pe.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ini_amp.sdf -rw-rw-r-- root/root 5612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4io8_3fd.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iok_adp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iol_adp.sdf -rw-rw-r-- root/root 8723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ipf_1f0.sdf -rw-rw-r-- root/root 3554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iph_1fj.sdf -rw-rw-r-- root/root 3929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ips_1g4.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ipw_1g7.sdf -rw-rw-r-- root/root 3855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iq6_iq6.sdf -rw-rw-r-- root/root 2853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iq7_1g9.sdf -rw-rw-r-- root/root 4140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iq9_1gb.sdf -rw-rw-r-- root/root 1245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iqi_cyt.sdf -rw-rw-r-- root/root 5128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iqk_iqk.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iqt_1fo.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iqu_1fq.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iqv_1fo.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iqw_1fq.sdf -rw-rw-r-- root/root 2877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ir3_1fk.sdf -rw-rw-r-- root/root 3941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ir4_ir4.sdf -rw-rw-r-- root/root 4238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ir5_ir5.sdf -rw-rw-r-- root/root 4424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ir6_ir6.sdf -rw-rw-r-- root/root 12472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ire_pc1.sdf -rw-rw-r-- root/root 2919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4irw_btn.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4irw_pdc.sdf -rw-rw-r-- root/root 4946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4is0_1r4.sdf -rw-rw-r-- root/root 3819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4is9_ltf.sdf -rw-rw-r-- root/root 4597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4isa_gvr.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ise_1fw.sdf -rw-rw-r-- root/root 4586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4isf_1fx.sdf -rw-rw-r-- root/root 4799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4isg_1fy.sdf -rw-rw-r-- root/root 5958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ish_1ge.sdf -rw-rw-r-- root/root 5794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4isi_1gg.sdf -rw-rw-r-- root/root 7272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4isk_1jy.sdf -rw-rw-r-- root/root 3214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4isk_umc.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4isk_ump.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4isu_ikm.sdf -rw-rw-r-- root/root 7578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ite_tey.sdf -rw-rw-r-- root/root 7578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4itf_tfy.sdf -rw-rw-r-- root/root 2881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ith_rcm.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iti_1hw.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4itj_1hx.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4itr_gdp.sdf -rw-rw-r-- root/root 3627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4itx_in5.sdf -rw-rw-r-- root/root 4858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iu6_fz1.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iu7_1gm.sdf -rw-rw-r-- root/root 2895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iue_aj4.sdf -rw-rw-r-- root/root 3873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iui_1gq.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iuo_qic.sdf -rw-rw-r-- root/root 3873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iv2_1gr.sdf -rw-rw-r-- root/root 3873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iv4_1gs.sdf -rw-rw-r-- root/root 3857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iva_1j5.sdf -rw-rw-r-- root/root 3857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ivb_1j5.sdf -rw-rw-r-- root/root 4117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ivc_1j6.sdf -rw-rw-r-- root/root 4377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ivd_15t.sdf -rw-rw-r-- root/root 2481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ivp_i51.sdf -rw-rw-r-- root/root 3001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ivq_i43.sdf -rw-rw-r-- root/root 3001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ivr_n50.sdf -rw-rw-r-- root/root 4002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ivw_1gj.sdf -rw-rw-r-- root/root 3707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ivy_1gt.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iw1_fru.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iw1_fud.sdf -rw-rw-r-- root/root 3707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iw6_1gu.sdf -rw-rw-r-- root/root 6125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iwd_1jc.sdf -rw-rw-r-- root/root 5890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iwo_1h4.sdf -rw-rw-r-- root/root 6316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iwq_1fv.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iwt_cht.sdf -rw-rw-r-- root/root 4702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iwv_1j9.sdf -rw-rw-r-- root/root 5034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ixc_1jd.sdf -rw-rw-r-- root/root 5199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ixd_1hv.sdf -rw-rw-r-- root/root 3169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ixe_ixe.sdf -rw-rw-r-- root/root 3928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ixf_ixf.sdf -rw-rw-r-- root/root 3148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ixg_ixg.sdf -rw-rw-r-- root/root 4614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ixh_q21.sdf -rw-rw-r-- root/root 5431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ixu_38i.sdf -rw-rw-r-- root/root 5053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ixv_xa1.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iyg_1hu.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iz0_2bi.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4iz5_adp.sdf -rw-rw-r-- root/root 5804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4izy_1j2.sdf -rw-rw-r-- root/root 7880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j03_fvs.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j0p_1h8.sdf -rw-rw-r-- root/root 3897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j0z_1h5.sdf -rw-rw-r-- root/root 8443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j14_x2n.sdf -rw-rw-r-- root/root 3897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j17_1hq.sdf -rw-rw-r-- root/root 3908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j1c_1ho.sdf -rw-rw-r-- root/root 4179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j1e_1hm.sdf -rw-rw-r-- root/root 4460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j1p_1k0.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j1r_i5r.sdf -rw-rw-r-- root/root 3063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j21_aj6.sdf -rw-rw-r-- root/root 4929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j22_aj7.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j24_est.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j26_est.sdf -rw-rw-r-- root/root 9555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j2t_1ht.sdf -rw-rw-r-- root/root 11403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j2t_pty.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j2v_mli.sdf -rw-rw-r-- root/root 2267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j36_1hr.sdf -rw-rw-r-- root/root 5079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j3d_1js.sdf -rw-rw-r-- root/root 6366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j3e_nut.sdf -rw-rw-r-- root/root 4592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j3j_d3c.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j3l_aj5.sdf -rw-rw-r-- root/root 3168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j3m_aj8.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j4q_bog.sdf -rw-rw-r-- root/root 5165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j51_n75.sdf -rw-rw-r-- root/root 6960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j52_1j3.sdf -rw-rw-r-- root/root 6711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j53_1j4.sdf -rw-rw-r-- root/root 3632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j58_53z.sdf -rw-rw-r-- root/root 5096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j59_671.sdf -rw-rw-r-- root/root 5249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j5a_67z.sdf -rw-rw-r-- root/root 4892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j5b_6b4.sdf -rw-rw-r-- root/root 5765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j5c_7i6.sdf -rw-rw-r-- root/root 4551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j5d_728.sdf -rw-rw-r-- root/root 4895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j5e_7b7.sdf -rw-rw-r-- root/root 4092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j5h_1k4.sdf -rw-rw-r-- root/root 5069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j6i_1jv.sdf -rw-rw-r-- root/root 1966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j71_1jx.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j74_i18.sdf -rw-rw-r-- root/root 5972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j7d_i31.sdf -rw-rw-r-- root/root 6420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j7e_i29.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j7f_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j7i_sah.sdf -rw-rw-r-- root/root 1800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j7n_9mg.sdf -rw-rw-r-- root/root 7545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j7n_gtg.sdf -rw-rw-r-- root/root 5303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j7t_1jo.sdf -rw-rw-r-- root/root 2334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j7u_ytz.sdf -rw-rw-r-- root/root 3887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j7x_sas.sdf -rw-rw-r-- root/root 5230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j7y_1jp.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j83_sam.sdf -rw-rw-r-- root/root 5785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j8m_cj5.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j8o_sah.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j97_acp.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j98_acp.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j99_acp.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j9m_xg4.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j9n_xg4.sdf -rw-rw-r-- root/root 1731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4j9z_1kp.sdf -rw-rw-r-- root/root 3703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ja1_ngh.sdf -rw-rw-r-- root/root 4627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ja8_1k9.sdf -rw-rw-r-- root/root 1989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jaa_dle.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jaa_oga.sdf -rw-rw-r-- root/root 4533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jai_xu2.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jao_plm.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jay_b3p.sdf -rw-rw-r-- root/root 6545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jbo_wph.sdf -rw-rw-r-- root/root 6550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jbs_p52.sdf -rw-rw-r-- root/root 2740 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jbx_sk7.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jby_fsk.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jc1_tdg.sdf -rw-rw-r-- root/root 2811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jc5_1k5.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jc7_gtx.sdf -rw-rw-r-- root/root 7305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jch_1kg.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jck_1ll.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jcz_gtx.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jd3_plm.sdf -rw-rw-r-- root/root 3227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jd4_jdm.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jd6_coa.sdf -rw-rw-r-- root/root 6190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jd6_toy.sdf -rw-rw-r-- root/root 3519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jda_a9s.sdf -rw-rw-r-- root/root 3782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jdb_jdb.sdf -rw-rw-r-- root/root 9277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jdd_fsc.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jdi_anp.sdf -rw-rw-r-- root/root 5198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jds_1l4.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jds_sam.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4je7_bb2.sdf -rw-rw-r-- root/root 3845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jev_pxg.sdf -rw-rw-r-- root/root 3827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jew_p00.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jey_plp.sdf -rw-rw-r-- root/root 3827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jez_p00.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jf1_plp.sdf -rw-rw-r-- root/root 6349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jfi_1kt.sdf -rw-rw-r-- root/root 5921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jfj_1ku.sdf -rw-rw-r-- root/root 6015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jfk_jfk.sdf -rw-rw-r-- root/root 5755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jfl_1ky.sdf -rw-rw-r-- root/root 5564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jfm_1kz.sdf -rw-rw-r-- root/root 1527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jgc_1rt.sdf -rw-rw-r-- root/root 3145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jgd_4jg.sdf -rw-rw-r-- root/root 4296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jh0_1md.sdf -rw-rw-r-- root/root 1413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jh6_fcn.sdf -rw-rw-r-- root/root 2637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jh7_1km.sdf -rw-rw-r-- root/root 1413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jh8_fcn.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jhd_anp.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jhg_zea.sdf -rw-rw-r-- root/root 2354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jhh_h35.sdf -rw-rw-r-- root/root 2614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jhi_emu.sdf -rw-rw-r-- root/root 7316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jhq_b6f.sdf -rw-rw-r-- root/root 1997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jht_8xq.sdf -rw-rw-r-- root/root 5677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jhz_1kv.sdf -rw-rw-r-- root/root 6396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ji9_1m3.sdf -rw-rw-r-- root/root 5195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jia_1k3.sdf -rw-rw-r-- root/root 5355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jib_1l6.sdf -rw-rw-r-- root/root 1878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jih_epr.sdf -rw-rw-r-- root/root 3828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jii_zst.sdf -rw-rw-r-- root/root 4145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jik_1ko.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jin_1l7.sdf -rw-rw-r-- root/root 1878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jir_epr.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jit_3zf.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jjk_fol.sdf -rw-rw-r-- root/root 1918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jk5_zbr.sdf -rw-rw-r-- root/root 1918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jk6_zbr.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jki_adp.sdf -rw-rw-r-- root/root 970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jki_xpo.sdf -rw-rw-r-- root/root 3027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jki_zd9.sdf -rw-rw-r-- root/root 5588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jkv_1ks.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jkw_ipe.sdf -rw-rw-r-- root/root 2354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jkx_h35.sdf -rw-rw-r-- root/root 4771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jl4_axy.sdf -rw-rw-r-- root/root 3754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jlc_su6.sdf -rw-rw-r-- root/root 5387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jlg_1l8.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jlg_sam.sdf -rw-rw-r-- root/root 4138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jlj_1nm.sdf -rw-rw-r-- root/root 4398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jlk_1no.sdf -rw-rw-r-- root/root 4658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jlm_1nn.sdf -rw-rw-r-- root/root 4918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jln_18v.sdf -rw-rw-r-- root/root 3602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jls_3ze.sdf -rw-rw-r-- root/root 4041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jlt_8pr.sdf -rw-rw-r-- root/root 6785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jlt_cm5.sdf -rw-rw-r-- root/root 2424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jmb_1lw.sdf -rw-rw-r-- root/root 3484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jmo_jaf.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jms_1lx.sdf -rw-rw-r-- root/root 1797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jmt_1lz.sdf -rw-rw-r-- root/root 6873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jmu_1ml.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jmv_1ly.sdf -rw-rw-r-- root/root 1880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jmz_1m2.sdf -rw-rw-r-- root/root 1631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jn0_1mj.sdf -rw-rw-r-- root/root 4742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jnc_1lf.sdf -rw-rw-r-- root/root 1591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jni_pzh.sdf -rw-rw-r-- root/root 1131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jnk_lac.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jnk_nai.sdf -rw-rw-r-- root/root 4450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jnk_zhk.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jnm_1lj.sdf -rw-rw-r-- root/root 4184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4joa_3dk.sdf -rw-rw-r-- root/root 5379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jp4_az4.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jp9_1m5.sdf -rw-rw-r-- root/root 5208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jpa_az6.sdf -rw-rw-r-- root/root 4314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jpc_1m6.sdf -rw-rw-r-- root/root 3086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jpg_1ox.sdf -rw-rw-r-- root/root 4733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jps_1lt.sdf -rw-rw-r-- root/root 1883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jpt_q24.sdf -rw-rw-r-- root/root 2849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jq1_nps.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jq2_suz.sdf -rw-rw-r-- root/root 3129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jq3_zom.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jq4_imn.sdf -rw-rw-r-- root/root 4780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jq7_kjq.sdf -rw-rw-r-- root/root 6362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jq8_kj8.sdf -rw-rw-r-- root/root 3028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jqa_id8.sdf -rw-rw-r-- root/root 4657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jqc_0we.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jqc_nad.sdf -rw-rw-r-- root/root 1797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jqj_1lm.sdf -rw-rw-r-- root/root 1957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jqk_1ln.sdf -rw-rw-r-- root/root 5405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jr3_kjr.sdf -rw-rw-r-- root/root 4373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jr5_1ls.sdf -rw-rw-r-- root/root 6136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jrg_i09.sdf -rw-rw-r-- root/root 6622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jrv_kjv.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jrz_gtx.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4js0_gnp.sdf -rw-rw-r-- root/root 2902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4js3_js3.sdf -rw-rw-r-- root/root 5791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4js8_1pf.sdf -rw-rw-r-- root/root 6156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsc_1oy.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsf_h4b.sdf -rw-rw-r-- root/root 4585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsf_qj4.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsg_h4b.sdf -rw-rw-r-- root/root 3816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsg_q10.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsh_h4b.sdf -rw-rw-r-- root/root 4443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsh_q15.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsi_h4b.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsi_q05.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsj_h4b.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsj_qj7.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsk_h4b.sdf -rw-rw-r-- root/root 4065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsk_qj2.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsl_h4b.sdf -rw-rw-r-- root/root 4585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsl_qj4.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsm_h4b.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsm_qj7.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsp_ags.sdf -rw-rw-r-- root/root 5379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsr_1nq.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsv_adp.sdf -rw-rw-r-- root/root 463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsv_mgf.sdf -rw-rw-r-- root/root 4386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jsx_17g.sdf -rw-rw-r-- root/root 4345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jt3_1ph.sdf -rw-rw-r-- root/root 3607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jt5_p2x.sdf -rw-rw-r-- root/root 4885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jt8_1nr.sdf -rw-rw-r-- root/root 4205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jt9_1ns.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jtp_asc.sdf -rw-rw-r-- root/root 2855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jtq_flp.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jtr_ibp.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jtr_izp.sdf -rw-rw-r-- root/root 2891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jts_jts.sdf -rw-rw-r-- root/root 3151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jtt_jtt.sdf -rw-rw-r-- root/root 4110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jtu_jtu.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jub_tpp.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4juc_tpp.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4juf_tpp.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4juz_dgt.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jv0_dtp.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jv2_dtp.sdf -rw-rw-r-- root/root 3521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jv6_18f.sdf -rw-rw-r-- root/root 4582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jv7_1mn.sdf -rw-rw-r-- root/root 3462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jv8_1m1.sdf -rw-rw-r-- root/root 4582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jv9_1mo.sdf -rw-rw-r-- root/root 6862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jvb_1m0.sdf -rw-rw-r-- root/root 5486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jve_1mq.sdf -rw-rw-r-- root/root 8175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jvf_17x.sdf -rw-rw-r-- root/root 6865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jvg_b96.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jvj_1mv.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jvl_est.sdf -rw-rw-r-- root/root 3071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jvm_xdi.sdf -rw-rw-r-- root/root 2280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jvn_yug.sdf -rw-rw-r-- root/root 5712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jvr_1mt.sdf -rw-rw-r-- root/root 4826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jwr_1my.sdf -rw-rw-r-- root/root 2474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jwx_1n4.sdf -rw-rw-r-- root/root 2474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jwy_1n4.sdf -rw-rw-r-- root/root 2544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jx1_cah.sdf -rw-rw-r-- root/root 2450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jx1_cam.sdf -rw-rw-r-- root/root 4682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jx7_1n6.sdf -rw-rw-r-- root/root 4426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jx8_ae6.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jx8_nad.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jxc_sam.sdf -rw-rw-r-- root/root 5765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jxf_631.sdf -rw-rw-r-- root/root 3114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jxh_hrc.sdf -rw-rw-r-- root/root 3071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jxs_18u.sdf -rw-rw-r-- root/root 3340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jxv_1mu.sdf -rw-rw-r-- root/root 3600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jxw_1mw.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jxz_atp.sdf -rw-rw-r-- root/root 6062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jy0_1o9.sdf -rw-rw-r-- root/root 4854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jyg_1ny.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jyh_jyh.sdf -rw-rw-r-- root/root 4853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jyi_jyi.sdf -rw-rw-r-- root/root 1631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jym_kkn.sdf -rw-rw-r-- root/root 5870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jyt_n4a.sdf -rw-rw-r-- root/root 6178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jyu_1ok.sdf -rw-rw-r-- root/root 6460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jyv_1oj.sdf -rw-rw-r-- root/root 7910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jyw_t57.sdf -rw-rw-r-- root/root 5723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jz0_t01.sdf -rw-rw-r-- root/root 5325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jz1_f4d.sdf -rw-rw-r-- root/root 6345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jzd_1nj.sdf -rw-rw-r-- root/root 6543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jze_1nk.sdf -rw-rw-r-- root/root 6259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jzf_1nl.sdf -rw-rw-r-- root/root 5897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jzi_n4c.sdf -rw-rw-r-- root/root 5267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4jzr_4jr.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k06_7pe.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k06_pe4.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k06_pge.sdf -rw-rw-r-- root/root 4054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k0y_1oa.sdf -rw-rw-r-- root/root 3952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k11_0j9.sdf -rw-rw-r-- root/root 4004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k18_1ob.sdf -rw-rw-r-- root/root 7168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k19_1od.sdf -rw-rw-r-- root/root 5612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k1b_1oc.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k1j_g39.sdf -rw-rw-r-- root/root 3715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k1l_sff.sdf -rw-rw-r-- root/root 2281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k1w_cs2.sdf -rw-rw-r-- root/root 2470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k1y_mdm.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k21_xmm.sdf -rw-rw-r-- root/root 3715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k26_sff.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k2f_a08.sdf -rw-rw-r-- root/root 2628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k2g_1oq.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k2i_pmp.sdf -rw-rw-r-- root/root 4834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k2m_o1g.sdf -rw-rw-r-- root/root 2280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k2s_gco.sdf -rw-rw-r-- root/root 1632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k2y_es2.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k33_acp.sdf -rw-rw-r-- root/root 3605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k3k_sfk.sdf -rw-rw-r-- root/root 8172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k42_nwm.sdf -rw-rw-r-- root/root 7406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k43_1po.sdf -rw-rw-r-- root/root 5923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k47_wmp.sdf -rw-rw-r-- root/root 5005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k4e_k4e.sdf -rw-rw-r-- root/root 5135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k4f_k4f.sdf -rw-rw-r-- root/root 4059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k4g_1s0.sdf -rw-rw-r-- root/root 3788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k4h_1rz.sdf -rw-rw-r-- root/root 3810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k4i_1ry.sdf -rw-rw-r-- root/root 3982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k4j_1o8.sdf -rw-rw-r-- root/root 5059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k4o_doo.sdf -rw-rw-r-- root/root 2139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k4q_06b.sdf -rw-rw-r-- root/root 5920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k4q_3tl.sdf -rw-rw-r-- root/root 2479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k55_h6p.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5f_h4b.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5f_q14.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5g_h4b.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5g_q13.sdf -rw-rw-r-- root/root 4430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5h_1q6.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5h_h4b.sdf -rw-rw-r-- root/root 4430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5i_1q7.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5i_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5j_h4b.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5j_q14.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5k_h4b.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5k_q13.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5l_19n.sdf -rw-rw-r-- root/root 2527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5m_1ov.sdf -rw-rw-r-- root/root 2653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5n_1ou.sdf -rw-rw-r-- root/root 2677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5o_1ot.sdf -rw-rw-r-- root/root 2477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5p_1os.sdf -rw-rw-r-- root/root 4836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5y_1q5.sdf -rw-rw-r-- root/root 1623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k5z_1p7.sdf -rw-rw-r-- root/root 1623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k60_1p8.sdf -rw-rw-r-- root/root 4762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k69_1p9.sdf -rw-rw-r-- root/root 4873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k6i_9ra.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k6r_atp.sdf -rw-rw-r-- root/root 3199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k6r_gn1.sdf -rw-rw-r-- root/root 3619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k6z_1q3.sdf -rw-rw-r-- root/root 3125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k77_1q4.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k7i_caq.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k7n_mct.sdf -rw-rw-r-- root/root 2376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k7o_ekz.sdf -rw-rw-r-- root/root 4020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k7q_zld.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k7r_3pk.sdf -rw-rw-r-- root/root 2282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k7v_07v.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k87_adn.sdf -rw-rw-r-- root/root 1550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k8a_k8a.sdf -rw-rw-r-- root/root 8730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k8b_1rr.sdf -rw-rw-r-- root/root 2282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k8h_07v.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k97_atp.sdf -rw-rw-r-- root/root 2835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k9g_1q2.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k9n_tzd.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k9o_tpp.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k9p_tpp.sdf -rw-rw-r-- root/root 6377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k9t_1rd.sdf -rw-rw-r-- root/root 6897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k9u_5aw.sdf -rw-rw-r-- root/root 6991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k9v_6aw.sdf -rw-rw-r-- root/root 8326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k9w_7aw.sdf -rw-rw-r-- root/root 6307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k9x_8aw.sdf -rw-rw-r-- root/root 5754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4k9y_k9y.sdf -rw-rw-r-- root/root 1434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kab_4ka.sdf -rw-rw-r-- root/root 3190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kac_1q9.sdf -rw-rw-r-- root/root 5870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kai_1pv.sdf -rw-rw-r-- root/root 3190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kaj_1q9.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kak_06u.sdf -rw-rw-r-- root/root 5365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kao_kao.sdf -rw-rw-r-- root/root 6226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kb7_690.sdf -rw-rw-r-- root/root 3577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kb8_1qn.sdf -rw-rw-r-- root/root 3141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kb8_1qo.sdf -rw-rw-r-- root/root 7824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kb9_g79.sdf -rw-rw-r-- root/root 3777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kba_1qm.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kbc_1qj.sdf -rw-rw-r-- root/root 5986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kbi_1c0.sdf -rw-rw-r-- root/root 4037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kbk_1qg.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kbn_25u.sdf -rw-rw-r-- root/root 6468 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kby_c2e.sdf -rw-rw-r-- root/root 3897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kbz_1qa.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kc1_bhe.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kc1_ws1.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kc2_bhe.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kc2_ws2.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kc4_bhe.sdf -rw-rw-r-- root/root 6013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kc4_ws3.sdf -rw-rw-r-- root/root 5626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcg_1qc.sdf -rw-rw-r-- root/root 4251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kch_h38.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kch_h4b.sdf -rw-rw-r-- root/root 4771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kci_1qe.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kci_h4b.sdf -rw-rw-r-- root/root 4959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcj_h36.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcj_h4b.sdf -rw-rw-r-- root/root 5208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kck_h45.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kck_h4b.sdf -rw-rw-r-- root/root 5208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcl_h44.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcl_h4b.sdf -rw-rw-r-- root/root 5728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcm_1qf.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcm_h4b.sdf -rw-rw-r-- root/root 4122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcn_5h3.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcn_h4b.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kco_5h4.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kco_h4b.sdf -rw-rw-r-- root/root 5208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcp_h44.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcp_h4b.sdf -rw-rw-r-- root/root 5728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcq_1qf.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcq_h4b.sdf -rw-rw-r-- root/root 4122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcr_5h3.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcr_h4b.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcs_5h4.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcs_h4b.sdf -rw-rw-r-- root/root 3114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kct_fdp.sdf -rw-rw-r-- root/root 5276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kcx_1qk.sdf -rw-rw-r-- root/root 4387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kd7_9dr.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ke6_1qw.sdf -rw-rw-r-- root/root 5202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4keb_1qz.sdf -rw-rw-r-- root/root 1808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4keq_5pn.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ket_pg4.sdf -rw-rw-r-- root/root 3838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kew_1c6.sdf -rw-rw-r-- root/root 3943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kf1_ht5.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kf1_pg4.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kf3_pe4.sdf -rw-rw-r-- root/root 2417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kfa_zol.sdf -rw-rw-r-- root/root 5059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kfg_doo.sdf -rw-rw-r-- root/root 4942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kfj_1r0.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kfj_fol.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kfm_lmt.sdf -rw-rw-r-- root/root 4574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kfn_1qr.sdf -rw-rw-r-- root/root 4181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kfo_1qs.sdf -rw-rw-r-- root/root 5815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kfp_1r7.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kgd_tdp.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kgi_gsh.sdf -rw-rw-r-- root/root 2054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kgj_idf.sdf -rw-rw-r-- root/root 2117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kgl_idj.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kgv_atp.sdf -rw-rw-r-- root/root 4060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kgz_utp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kh0_atp.sdf -rw-rw-r-- root/root 5870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4khm_1pv.sdf -rw-rw-r-- root/root 5870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4khr_1pv.sdf -rw-rw-r-- root/root 2752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ki7_1r2.sdf -rw-rw-r-- root/root 2138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kib_56d.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kib_sah.sdf -rw-rw-r-- root/root 1872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kic_ppy.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kic_sam.sdf -rw-rw-r-- root/root 1872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kif_ppy.sdf -rw-rw-r-- root/root 1959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kig_eno.sdf -rw-rw-r-- root/root 2846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kij_kij.sdf -rw-rw-r-- root/root 5191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kik_ksa.sdf -rw-rw-r-- root/root 2710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kil_1r5.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kin_1m8.sdf -rw-rw-r-- root/root 5389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kio_g5k.sdf -rw-rw-r-- root/root 5555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kio_g6k.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kip_1r9.sdf -rw-rw-r-- root/root 4845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kiq_1ra.sdf -rw-rw-r-- root/root 3200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kiu_kiu.sdf -rw-rw-r-- root/root 3283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kiw_kiw.sdf -rw-rw-r-- root/root 1910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kjg_4np.sdf -rw-rw-r-- root/root 6722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kju_1rh.sdf -rw-rw-r-- root/root 6628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kjv_1rk.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kjx_dao.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kke_amp.sdf -rw-rw-r-- root/root 6054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kkh_1rq.sdf -rw-rw-r-- root/root 5610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kko_1re.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kkx_aq3.sdf -rw-rw-r-- root/root 2965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kkx_f6f.sdf -rw-rw-r-- root/root 2450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kky_cam.sdf -rw-rw-r-- root/root 1564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kkz_1rf.sdf -rw-rw-r-- root/root 6161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kla_chd.sdf -rw-rw-r-- root/root 6904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kla_pp9.sdf -rw-rw-r-- root/root 2538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4klb_1rv.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kld_dcp.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kle_dcp.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4klq_dtp.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4km0_cp6.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4km2_top.sdf -rw-rw-r-- root/root 10232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kmn_436.sdf -rw-rw-r-- root/root 10240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kmp_gt6.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kmz_fol.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kn0_mtx.sdf -rw-rw-r-- root/root 4758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kn1_04j.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kn2_lya.sdf -rw-rw-r-- root/root 3434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kn6_1rp.sdf -rw-rw-r-- root/root 5058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4knb_1ru.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kne_1cy.sdf -rw-rw-r-- root/root 3414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4knm_e1e.sdf -rw-rw-r-- root/root 2894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4knn_e1f.sdf -rw-rw-r-- root/root 5505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4knr_1s8.sdf -rw-rw-r-- root/root 4878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4knx_1s9.sdf -rw-rw-r-- root/root 3755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ko0_jlj.sdf -rw-rw-r-- root/root 4203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4koe_tr6.sdf -rw-rw-r-- root/root 4314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kp0_kpk.sdf -rw-rw-r-- root/root 2894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kp5_e1f.sdf -rw-rw-r-- root/root 3475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kp6_1s1.sdf -rw-rw-r-- root/root 2931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kp7_1uq.sdf -rw-rw-r-- root/root 2883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kp8_e1g.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kpd_ipe.sdf -rw-rw-r-- root/root 2588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kpd_ris.sdf -rw-rw-r-- root/root 4336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kpe_af5.sdf -rw-rw-r-- root/root 4336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kpf_1uv.sdf -rw-rw-r-- root/root 2202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kpj_210.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kpx_1se.sdf -rw-rw-r-- root/root 2461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kpz_1sf.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kq1_u5p.sdf -rw-rw-r-- root/root 2408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kq2_1s3.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kq2_u5p.sdf -rw-rw-r-- root/root 2417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kq5_zol.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kqf_ade.sdf -rw-rw-r-- root/root 1954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kqg_dmd.sdf -rw-rw-r-- root/root 1337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kqi_nio.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kqi_rbz.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kqj_ncn.sdf -rw-rw-r-- root/root 1498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kqj_pcr.sdf -rw-rw-r-- root/root 1498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kqk_pcr.sdf -rw-rw-r-- root/root 4889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kql_1sg.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kqm_glc.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kqm_udp.sdf -rw-rw-r-- root/root 5988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kqq_vpp.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kqs_ipe.sdf -rw-rw-r-- root/root 2588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kqs_ris.sdf -rw-rw-r-- root/root 2172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kqu_ahd.sdf -rw-rw-r-- root/root 5059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kqv_doo.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kr2_amp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kr3_anp.sdf -rw-rw-r-- root/root 6103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kr8_dm1.sdf -rw-rw-r-- root/root 3860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kra_cpf.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4krc_ags.sdf -rw-rw-r-- root/root 3576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4krs_1sx.sdf -rw-rw-r-- root/root 3958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ks1_2h8.sdf -rw-rw-r-- root/root 4406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ks2_1sj.sdf -rw-rw-r-- root/root 5221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ks3_1sl.sdf -rw-rw-r-- root/root 5221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ks4_1sn.sdf -rw-rw-r-- root/root 5221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ks5_1so.sdf -rw-rw-r-- root/root 5744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ks7_x4z.sdf -rw-rw-r-- root/root 5074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ks8_b49.sdf -rw-rw-r-- root/root 5319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ksg_920.sdf -rw-rw-r-- root/root 4776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ksh_htt.sdf -rw-rw-r-- root/root 5289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ksp_1su.sdf -rw-rw-r-- root/root 5206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ksq_1sw.sdf -rw-rw-r-- root/root 6377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ksy_1sy.sdf -rw-rw-r-- root/root 9276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ktc_1x3.sdf -rw-rw-r-- root/root 3071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ktf_1tm.sdf -rw-rw-r-- root/root 2068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ktj_ktj.sdf -rw-rw-r-- root/root 3165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ktk_ktk.sdf -rw-rw-r-- root/root 4074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ktl_1cq.sdf -rw-rw-r-- root/root 4456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ktn_mju.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ktv_adn.sdf -rw-rw-r-- root/root 3271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ku7_pcg.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kum_fad.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kum_thg.sdf -rw-rw-r-- root/root 4545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kup_1tz.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kuv_mb6.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kuw_mb2.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kux_fps.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kuy_mb4.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kv0_mb7.sdf -rw-rw-r-- root/root 3675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kvd_1ss.sdf -rw-rw-r-- root/root 3249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kvi_1sv.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kvw_jf4.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kvy_jf1.sdf -rw-rw-r-- root/root 3541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kw5_1w6.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kwd_jf2.sdf -rw-rw-r-- root/root 2708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kwf_3ak.sdf -rw-rw-r-- root/root 1810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kwg_2ak.sdf -rw-rw-r-- root/root 4834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kwo_1ud.sdf -rw-rw-r-- root/root 2916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kwp_exx.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kww_pht.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kxb_bes.sdf -rw-rw-r-- root/root 3585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kxj_p34.sdf -rw-rw-r-- root/root 4572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kxl_6c6.sdf -rw-rw-r-- root/root 4724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kxm_6ia.sdf -rw-rw-r-- root/root 4331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kxn_6k6.sdf -rw-rw-r-- root/root 2965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kxq_apr.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kxw_dx5.sdf -rw-rw-r-- root/root 4815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kxy_1u0.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ky2_1w3.sdf -rw-rw-r-- root/root 4758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ky4_04j.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kya_fol.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kyd_mal.sdf -rw-rw-r-- root/root 3828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kyh_zst.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kyk_imn.sdf -rw-rw-r-- root/root 3190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kyv_1q9.sdf -rw-rw-r-- root/root 2508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kz0_1uj.sdf -rw-rw-r-- root/root 1640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kz3_1u1.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kz4_4a1.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kz5_1u3.sdf -rw-rw-r-- root/root 2907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kz6_zb6.sdf -rw-rw-r-- root/root 2577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kz7_1u5.sdf -rw-rw-r-- root/root 2304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kz8_1u6.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kza_nz9.sdf -rw-rw-r-- root/root 2669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kzb_nz2.sdf -rw-rw-r-- root/root 3342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kzc_1uk.sdf -rw-rw-r-- root/root 4375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4kzi_zj0.sdf -rw-rw-r-- root/root 5099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l02_1v2.sdf -rw-rw-r-- root/root 2823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l09_1ur.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l0b_1ut.sdf -rw-rw-r-- root/root 3343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l0i_1uw.sdf -rw-rw-r-- root/root 2646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l0s_1uz.sdf -rw-rw-r-- root/root 2766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l0t_1v0.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l0v_1v1.sdf -rw-rw-r-- root/root 2895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l10_a63.sdf -rw-rw-r-- root/root 3217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l19_1ua.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l1e_bla.sdf -rw-rw-r-- root/root 4004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l1t_1wz.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l1w_str.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l1x_str.sdf -rw-rw-r-- root/root 3911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l23_x6k.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l2f_1v3.sdf -rw-rw-r-- root/root 2551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l2g_1v4.sdf -rw-rw-r-- root/root 2836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l2k_1v8.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l2l_1v6.sdf -rw-rw-r-- root/root 2896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l2o_1dd.sdf -rw-rw-r-- root/root 4162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l2x_yl2.sdf -rw-rw-r-- root/root 4088 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l2y_xxk.sdf -rw-rw-r-- root/root 3083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l31_f08.sdf -rw-rw-r-- root/root 4230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l32_1vf.sdf -rw-rw-r-- root/root 3188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l33_f70.sdf -rw-rw-r-- root/root 3024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l34_1vg.sdf -rw-rw-r-- root/root 4705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l3p_1uh.sdf -rw-rw-r-- root/root 3062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l3q_926.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l42_5fi.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l45_5fi.sdf -rw-rw-r-- root/root 6264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l4l_1xc.sdf -rw-rw-r-- root/root 4181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l4m_1xd.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l4s_nai.sdf -rw-rw-r-- root/root 3577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l4v_1vy.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l4z_d5x.sdf -rw-rw-r-- root/root 3071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l50_d8x.sdf -rw-rw-r-- root/root 2313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l51_hsx.sdf -rw-rw-r-- root/root 4976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l52_1ul.sdf -rw-rw-r-- root/root 4729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l53_1uo.sdf -rw-rw-r-- root/root 5120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l59_1vz.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l5b_1ux.sdf -rw-rw-r-- root/root 5266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l65_c2f.sdf -rw-rw-r-- root/root 5283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l6b_1vs.sdf -rw-rw-r-- root/root 4336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l6c_0bt.sdf -rw-rw-r-- root/root 2616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l6g_cnl.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l6h_mtx.sdf -rw-rw-r-- root/root 3062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l6q_1wu.sdf -rw-rw-r-- root/root 4304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l6s_1wq.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l6z_1dc.sdf -rw-rw-r-- root/root 4205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l70_1v9.sdf -rw-rw-r-- root/root 2616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l77_cnl.sdf -rw-rw-r-- root/root 5389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l7b_1vv.sdf -rw-rw-r-- root/root 5591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l7c_1vw.sdf -rw-rw-r-- root/root 5721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l7d_1vx.sdf -rw-rw-r-- root/root 5505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l7f_1v5.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l7h_1w1.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l7j_1w2.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l7l_1va.sdf -rw-rw-r-- root/root 4404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l7n_1vb.sdf -rw-rw-r-- root/root 4594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l7o_1vd.sdf -rw-rw-r-- root/root 4133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l7p_m95.sdf -rw-rw-r-- root/root 3650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l7r_m00.sdf -rw-rw-r-- root/root 5431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l7s_g7k.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l7u_1vc.sdf -rw-rw-r-- root/root 4399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l87_ssa.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l8q_xmm.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l8u_9az.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l8z_rl1.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l90_rl3.sdf -rw-rw-r-- root/root 4041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l9i_8pr.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l9k_ehf.sdf -rw-rw-r-- root/root 7147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l9q_9tp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4l9s_gdp.sdf -rw-rw-r-- root/root 3977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4la0_198.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4la6_la6.sdf -rw-rw-r-- root/root 4533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4la7_a1o.sdf -rw-rw-r-- root/root 4172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lae_1vm.sdf -rw-rw-r-- root/root 4183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lag_1vn.sdf -rw-rw-r-- root/root 4172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lah_1vo.sdf -rw-rw-r-- root/root 5552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lap_1vt.sdf -rw-rw-r-- root/root 3332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lau_w8x.sdf -rw-rw-r-- root/root 11192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lax_fk5.sdf -rw-rw-r-- root/root 7450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lay_i63.sdf -rw-rw-r-- root/root 3331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4laz_1ww.sdf -rw-rw-r-- root/root 5751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lb2_dm5.sdf -rw-rw-r-- root/root 3342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lb3_m15.sdf -rw-rw-r-- root/root 3375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lb4_1wx.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lbr_4o9.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lbs_4o8.sdf -rw-rw-r-- root/root 4832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lbu_1wj.sdf -rw-rw-r-- root/root 1574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lce_kmt.sdf -rw-rw-r-- root/root 4603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lcf_1wl.sdf -rw-rw-r-- root/root 5051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lcg_1wm.sdf -rw-rw-r-- root/root 5311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lch_1wn.sdf -rw-rw-r-- root/root 3577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lcw_1vy.sdf -rw-rw-r-- root/root 4171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ldl_xqc.sdf -rw-rw-r-- root/root 2374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ldo_ale.sdf -rw-rw-r-- root/root 4360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lek_1dn.sdf -rw-rw-r-- root/root 4574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4leq_1wk.sdf -rw-rw-r-- root/root 6377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lez_1sy.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lf1_cap.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lfu_pg4.sdf -rw-rw-r-- root/root 4183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lfv_ys4.sdf -rw-rw-r-- root/root 4273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lga_a2o.sdf -rw-rw-r-- root/root 4014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lgb_1w7.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lgd_anp.sdf -rw-rw-r-- root/root 7378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lge_1y0.sdf -rw-rw-r-- root/root 3914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lgg_vgg.sdf -rw-rw-r-- root/root 4212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lgh_0jn.sdf -rw-rw-r-- root/root 7271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lgu_1yh.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lh6_1x7.sdf -rw-rw-r-- root/root 2258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lh7_1x8.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lhc_bcn.sdf -rw-rw-r-- root/root 2983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lhm_azz.sdf -rw-rw-r-- root/root 13245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lhu_jls.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4li4_amp.sdf -rw-rw-r-- root/root 4597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4li5_1wy.sdf -rw-rw-r-- root/root 4589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4li6_1xo.sdf -rw-rw-r-- root/root 4920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4li7_1xp.sdf -rw-rw-r-- root/root 6005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4li8_1xq.sdf -rw-rw-r-- root/root 694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ljj_6ac.sdf -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lko_1wh.sdf -rw-rw-r-- root/root 1539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lkq_1xm.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lkt_eic.sdf -rw-rw-r-- root/root 3086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ll5_sk8.sdf -rw-rw-r-- root/root 1892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4llk_mew.sdf -rw-rw-r-- root/root 1659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lm0_5ni.sdf -rw-rw-r-- root/root 1836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lm1_7ze.sdf -rw-rw-r-- root/root 2048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lm2_8ze.sdf -rw-rw-r-- root/root 2142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lm3_9ze.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lm7_u5p.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lm9_5gp.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lmc_c5p.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lmn_anp.sdf -rw-rw-r-- root/root 4680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lmn_eui.sdf -rw-rw-r-- root/root 3498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lmt_cqd.sdf -rw-rw-r-- root/root 3093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ln7_1zq.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lnl_2bo.sdf -rw-rw-r-- root/root 3196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lnm_plg.sdf -rw-rw-r-- root/root 3237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lnw_t3.sdf -rw-rw-r-- root/root 6377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4loh_1sy.sdf -rw-rw-r-- root/root 6376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4loi_1yc.sdf -rw-rw-r-- root/root 6377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4loj_1sy.sdf -rw-rw-r-- root/root 6376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lok_1yd.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lol_1ye.sdf -rw-rw-r-- root/root 2397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lom_iyp.sdf -rw-rw-r-- root/root 4015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lov_kgm.sdf -rw-rw-r-- root/root 6107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4loy_6xs.sdf -rw-rw-r-- root/root 4085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lp0_1ym.sdf -rw-rw-r-- root/root 4366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lpb_1yp.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lpg_1mv.sdf -rw-rw-r-- root/root 3336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lph_yl3.sdf -rw-rw-r-- root/root 6245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lqg_ctw.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lrg_1xb.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lrh_fol.sdf -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lro_spd.sdf -rw-rw-r-- root/root 3250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ls0_b3b.sdf -rw-rw-r-- root/root 3355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ls1_3x2.sdf -rw-rw-r-- root/root 3698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ls2_3xs.sdf -rw-rw-r-- root/root 2994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ls7_1x9.sdf -rw-rw-r-- root/root 7305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lsa_bld.sdf -rw-rw-r-- root/root 5105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lsj_lsj.sdf -rw-rw-r-- root/root 4166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lsl_1yq.sdf -rw-rw-r-- root/root 4177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lsn_1yr.sdf -rw-rw-r-- root/root 4533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lts_lts.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ltz_btm.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lu3_azm.sdf -rw-rw-r-- root/root 3086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lud_sk8.sdf -rw-rw-r-- root/root 3815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4luf_2q5.sdf -rw-rw-r-- root/root 1534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4luh_diu.sdf -rw-rw-r-- root/root 2643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lum_f6r.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4luo_1dz.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4luu_btm.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4luv_1dz.sdf -rw-rw-r-- root/root 2101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4luv_1xs.sdf -rw-rw-r-- root/root 5442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4luz_1xt.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lv7_adp.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lv7_ihp.sdf -rw-rw-r-- root/root 1987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lv9_20j.sdf -rw-rw-r-- root/root 5649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lva_20m.sdf -rw-rw-r-- root/root 2756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lvb_20n.sdf -rw-rw-r-- root/root 2356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lvd_1eb.sdf -rw-rw-r-- root/root 2958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lvf_20p.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lvg_20o.sdf -rw-rw-r-- root/root 10830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lvt_1xj.sdf -rw-rw-r-- root/root 2101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lw1_1xs.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lwa_q13.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lwb_h4b.sdf -rw-rw-r-- root/root 4797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lwb_qj8.sdf -rw-rw-r-- root/root 5204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lwc_1xu.sdf -rw-rw-r-- root/root 3801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lwe_fj2.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lwh_fj5.sdf -rw-rw-r-- root/root 4937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lwi_fj6.sdf -rw-rw-r-- root/root 4573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lwt_20q.sdf -rw-rw-r-- root/root 6294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lwu_20u.sdf -rw-rw-r-- root/root 6389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lwv_20w.sdf -rw-rw-r-- root/root 4159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lww_lww.sdf -rw-rw-r-- root/root 5922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lwx_mu2.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lwz_gdp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lx0_gdp.sdf -rw-rw-r-- root/root 6720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lxb_7r9.sdf -rw-rw-r-- root/root 7834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lxd_1xv.sdf -rw-rw-r-- root/root 7181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lxj_lan.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lxw_btm.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lxz_shh.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ly1_20y.sdf -rw-rw-r-- root/root 5884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ly9_1yy.sdf -rw-rw-r-- root/root 4550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lyn_1yg.sdf -rw-rw-r-- root/root 4637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lys_2sj.sdf -rw-rw-r-- root/root 5058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lyw_21q.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lz3_btm.sdf -rw-rw-r-- root/root 4155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4lzj_22h.sdf -rw-rw-r-- root/root 3252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m0e_1yl.sdf -rw-rw-r-- root/root 6514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m0f_1yk.sdf -rw-rw-r-- root/root 4166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m0r_644.sdf -rw-rw-r-- root/root 3243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m0y_m0y.sdf -rw-rw-r-- root/root 3596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m0z_m0z.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m10_icd.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m11_mxm.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m14_qws.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m15_adp.sdf -rw-rw-r-- root/root 3972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m1j_b0s.sdf -rw-rw-r-- root/root 2235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m1u_1ps.sdf -rw-rw-r-- root/root 4651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m2x_tmq.sdf -rw-rw-r-- root/root 3134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m3b_2b2.sdf -rw-rw-r-- root/root 4118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m3d_2h2.sdf -rw-rw-r-- root/root 4371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m3e_2b3.sdf -rw-rw-r-- root/root 3718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m3f_2d1.sdf -rw-rw-r-- root/root 3246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m3g_2g1.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m3m_22n.sdf -rw-rw-r-- root/root 1562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m3p_hcs.sdf -rw-rw-r-- root/root 4703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m3q_24k.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m47_xg4.sdf -rw-rw-r-- root/root 3959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m49_22y.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m49_nai.sdf -rw-rw-r-- root/root 3565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m4q_21a.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m4v_dan.sdf -rw-rw-r-- root/root 3859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m52_m52.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m56_glo.sdf -rw-rw-r-- root/root 2870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5a_da2.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5g_apc.sdf -rw-rw-r-- root/root 2999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5g_yh1.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5h_apc.sdf -rw-rw-r-- root/root 2916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5h_yh2.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5i_apc.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5i_yh6.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5j_apc.sdf -rw-rw-r-- root/root 3336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5j_yh5.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5k_apc.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5k_yh3.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5l_apc.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5l_yh4.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5m_apc.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5m_dx4.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5n_apc.sdf -rw-rw-r-- root/root 1548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5n_yh7.sdf -rw-rw-r-- root/root 2146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5o_x48.sdf -rw-rw-r-- root/root 1887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5r_msr.sdf -rw-rw-r-- root/root 3565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m5u_20f.sdf -rw-rw-r-- root/root 5172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m6l_21v.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m6p_20r.sdf -rw-rw-r-- root/root 6351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m6q_20t.sdf -rw-rw-r-- root/root 1009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m6u_ttn.sdf -rw-rw-r-- root/root 2138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m6x_56d.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m6x_sah.sdf -rw-rw-r-- root/root 2138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m6y_56d.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m6y_sah.sdf -rw-rw-r-- root/root 2138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m71_56d.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m71_sah.sdf -rw-rw-r-- root/root 2386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m72_m72.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m72_sah.sdf -rw-rw-r-- root/root 2386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m73_m72.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m73_sah.sdf -rw-rw-r-- root/root 2127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m74_m74.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m74_sah.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m7b_28c.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m7t_sam.sdf -rw-rw-r-- root/root 5256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m7x_27q.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m7x_adp.sdf -rw-rw-r-- root/root 4736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m7y_2gh.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m7y_adp.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m81_glf.sdf -rw-rw-r-- root/root 3327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m81_pnw.sdf -rw-rw-r-- root/root 5203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m82_ngb.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m83_udp.sdf -rw-rw-r-- root/root 4408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m8e_29v.sdf -rw-rw-r-- root/root 4408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m8h_r4m.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m8l_5rp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m8n_gdp.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4m9h_ttp.sdf -rw-rw-r-- root/root 3640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ma7_p2z.sdf -rw-rw-r-- root/root 3651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ma8_z80.sdf -rw-rw-r-- root/root 10620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4man_1y1.sdf -rw-rw-r-- root/root 1857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mav_rib.sdf -rw-rw-r-- root/root 4408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mb9_28f.sdf -rw-rw-r-- root/root 5022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mbc_28g.sdf -rw-rw-r-- root/root 3387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mbi_26k.sdf -rw-rw-r-- root/root 4571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mbl_26l.sdf -rw-rw-r-- root/root 7003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mbs_mrv.sdf -rw-rw-r-- root/root 6759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mc1_526.sdf -rw-rw-r-- root/root 6641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mc6_23k.sdf -rw-rw-r-- root/root 6499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mc9_23l.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mcb_21w.sdf -rw-rw-r-- root/root 3333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mcc_21x.sdf -rw-rw-r-- root/root 2271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mcd_22l.sdf -rw-rw-r-- root/root 6103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mcp_28z.sdf -rw-rw-r-- root/root 7530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mcq_29c.sdf -rw-rw-r-- root/root 8957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mcr_29d.sdf -rw-rw-r-- root/root 5743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mcv_29k.sdf -rw-rw-r-- root/root 3907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4md6_24e.sdf -rw-rw-r-- root/root 4863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mda_rlt.sdf -rw-rw-r-- root/root 4863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mdb_rlt.sdf -rw-rw-r-- root/root 6142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mdd_29m.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mdk_u94.sdf -rw-rw-r-- root/root 6285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mdn_y30.sdf -rw-rw-r-- root/root 5717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mdq_28w.sdf -rw-rw-r-- root/root 6417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mds_23h.sdf -rw-rw-r-- root/root 9224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mdt_24g.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4med_rtx.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mep_24y.sdf -rw-rw-r-- root/root 3198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mes_26g.sdf -rw-rw-r-- root/root 5035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mf0_29z.sdf -rw-rw-r-- root/root 4858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mf1_29y.sdf -rw-rw-r-- root/root 3681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mf2_6og.sdf -rw-rw-r-- root/root 4207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mf3_sxi.sdf -rw-rw-r-- root/root 4179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mfb_29t.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mfc_0kx.sdf -rw-rw-r-- root/root 3681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mfc_6og.sdf -rw-rw-r-- root/root 4308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mff_1fz.sdf -rw-rw-r-- root/root 3681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mff_6og.sdf -rw-rw-r-- root/root 5046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mg7_27h.sdf -rw-rw-r-- root/root 1794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mgi_cmp.sdf -rw-rw-r-- root/root 1794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mgk_cmp.sdf -rw-rw-r-- root/root 4450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mgy_h07.sdf -rw-rw-r-- root/root 4439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mgz_hr6.sdf -rw-rw-r-- root/root 4448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mh0_hr4.sdf -rw-rw-r-- root/root 1656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mh5_ggl.sdf -rw-rw-r-- root/root 5542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mh7_mh7.sdf -rw-rw-r-- root/root 5870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mha_4mh.sdf -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mhd_spd.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mht_sah.sdf -rw-rw-r-- root/root 3197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mhw_0yn.sdf -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mi4_spm.sdf -rw-rw-r-- root/root 5907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mia_28l.sdf -rw-rw-r-- root/root 5968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mib_28m.sdf -rw-rw-r-- root/root 5872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mik_jil.sdf -rw-rw-r-- root/root 4476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mjo_2c1.sdf -rw-rw-r-- root/root 3898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mjp_27o.sdf -rw-rw-r-- root/root 2957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mjq_27r.sdf -rw-rw-r-- root/root 2884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mjr_0la.sdf -rw-rw-r-- root/root 4358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mju_27s.sdf -rw-rw-r-- root/root 4358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mjv_27v.sdf -rw-rw-r-- root/root 4043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mk0_29x.sdf -rw-rw-r-- root/root 1263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mk1_27y.sdf -rw-rw-r-- root/root 2267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mk2_28b.sdf -rw-rw-r-- root/root 6161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mk4_chd.sdf -rw-rw-r-- root/root 2516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mk5_28a.sdf -rw-rw-r-- root/root 3453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mk7_28o.sdf -rw-rw-r-- root/root 5601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mk8_28q.sdf -rw-rw-r-- root/root 5293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mk9_28r.sdf -rw-rw-r-- root/root 5564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mka_2ay.sdf -rw-rw-r-- root/root 5352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mkb_28v.sdf -rw-rw-r-- root/root 6677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mkc_4mk.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mkt_1v6.sdf -rw-rw-r-- root/root 3535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mkt_28t.sdf -rw-rw-r-- root/root 2749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mkv_rub.sdf -rw-rw-r-- root/root 1474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ml4_pye.sdf -rw-rw-r-- root/root 3322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mle_vo1.sdf -rw-rw-r-- root/root 3582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mlh_vo2.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mlo_pam.sdf -rw-rw-r-- root/root 4583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mlp_2cx.sdf -rw-rw-r-- root/root 2245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mmm_bp7.sdf -rw-rw-r-- root/root 3804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mne_573.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mne_acp.sdf -rw-rw-r-- root/root 3960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mnf_29l.sdf -rw-rw-r-- root/root 3311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mns_2ax.sdf -rw-rw-r-- root/root 1918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mnw_zbr.sdf -rw-rw-r-- root/root 3512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mnx_29n.sdf -rw-rw-r-- root/root 3008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mny_29o.sdf -rw-rw-r-- root/root 4644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mot_2b7.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mpu_pg4.sdf -rw-rw-r-- root/root 10993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mpu_x2a.sdf -rw-rw-r-- root/root 10783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mpv_2a4.sdf -rw-rw-r-- root/root 9998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mpw_2aj.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mpw_pge.sdf -rw-rw-r-- root/root 10010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mpx_2av.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mpx_pge.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mq0_mma.sdf -rw-rw-r-- root/root 5420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mq1_2c3.sdf -rw-rw-r-- root/root 3720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mq2_2c4.sdf -rw-rw-r-- root/root 5835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mq4_2d5.sdf -rw-rw-r-- root/root 4231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mq6_29w.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mqa_pg4.sdf -rw-rw-r-- root/root 10113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mqa_x00.sdf -rw-rw-r-- root/root 2568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mqf_2bq.sdf -rw-rw-r-- root/root 3801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mqp_2b1.sdf -rw-rw-r-- root/root 3989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mqq_2b6.sdf -rw-rw-r-- root/root 3694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mqr_2b9.sdf -rw-rw-r-- root/root 2831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mqs_ixo.sdf -rw-rw-r-- root/root 5039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mqu_mg9.sdf -rw-rw-r-- root/root 4402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mqy_2cw.sdf -rw-rw-r-- root/root 4757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mr7_2bv.sdf -rw-rw-r-- root/root 3033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mr8_2bw.sdf -rw-rw-r-- root/root 2446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mr9_2bx.sdf -rw-rw-r-- root/root 1762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mre_2c9.sdf -rw-rw-r-- root/root 1952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mrf_2ck.sdf -rw-rw-r-- root/root 2129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mrg_24w.sdf -rw-rw-r-- root/root 2558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mrm_2by.sdf -rw-rw-r-- root/root 4591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mro_mg0.sdf -rw-rw-r-- root/root 1717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mrw_mrw.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mrx_czh.sdf -rw-rw-r-- root/root 4774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mry_cei.sdf -rw-rw-r-- root/root 1718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mrz_2zv.sdf -rw-rw-r-- root/root 3213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ms1_381.sdf -rw-rw-r-- root/root 1545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ms3_abu.sdf -rw-rw-r-- root/root 2384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ms4_2c0.sdf -rw-rw-r-- root/root 3535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ms6_28t.sdf -rw-rw-r-- root/root 1659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4msa_2zm.sdf -rw-rw-r-- root/root 3346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4msc_2zt.sdf -rw-rw-r-- root/root 3346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mse_2zu.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4msf_3hy.sdf -rw-rw-r-- root/root 5392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4msg_2c6.sdf -rw-rw-r-- root/root 1539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4msh_2d0.sdf -rw-rw-r-- root/root 4801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4msk_2c8.sdf -rw-rw-r-- root/root 4004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4msl_2et.sdf -rw-rw-r-- root/root 1836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4msn_2zq.sdf -rw-rw-r-- root/root 4238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4msu_2eu.sdf -rw-rw-r-- root/root 5109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mt9_2d6.sdf -rw-rw-r-- root/root 2330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mta_2d2.sdf -rw-rw-r-- root/root 5057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mtb_bzy.sdf -rw-rw-r-- root/root 7531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mti_2dx.sdf -rw-rw-r-- root/root 5365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mtw_2g7.sdf -rw-rw-r-- root/root 2394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mu3_ig2.sdf -rw-rw-r-- root/root 2397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mu4_iyp.sdf -rw-rw-r-- root/root 7920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mu7_2dy.sdf -rw-rw-r-- root/root 4264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mue_2dh.sdf -rw-rw-r-- root/root 5011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4muf_2dj.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mug_2dk.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4muh_2dn.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mui_2dq.sdf -rw-rw-r-- root/root 4231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4muj_2du.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4muk_2dv.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mul_2dw.sdf -rw-rw-r-- root/root 4489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mun_2dz.sdf -rw-rw-r-- root/root 3473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4muu_218.sdf -rw-rw-r-- root/root 4735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4muw_2f4.sdf -rw-rw-r-- root/root 2328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mux_2e4.sdf -rw-rw-r-- root/root 2328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4muy_2e5.sdf -rw-rw-r-- root/root 2328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mv0_2e6.sdf -rw-rw-r-- root/root 2338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mv5_2e7.sdf -rw-rw-r-- root/root 1318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mv6_pct.sdf -rw-rw-r-- root/root 973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mv7_ppf.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mvf_stu.sdf -rw-rw-r-- root/root 4536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mvh_2f5.sdf -rw-rw-r-- root/root 4608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mwo_2e2.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mwu_lnv.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mwx_zmr.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mwy_lnv.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mx1_1mx.sdf -rw-rw-r-- root/root 2976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mx5_5mx.sdf -rw-rw-r-- root/root 6156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mxc_dwf.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mxo_db8.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mxx_db8.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mxy_db8.sdf -rw-rw-r-- root/root 7808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4my6_3vh.sdf -rw-rw-r-- root/root 2665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4myd_164.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mye_xmm.sdf -rw-rw-r-- root/root 4041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4myq_19t.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4mzg_mrd.sdf -rw-rw-r-- root/root 4338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n00_2ex.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n0d_gsp.sdf -rw-rw-r-- root/root 1874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n0s_dhc.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n14_wr7.sdf -rw-rw-r-- root/root 5462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n1b_2fs.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n1f_czh.sdf -rw-rw-r-- root/root 4774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n1g_cei.sdf -rw-rw-r-- root/root 1514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n1n_unu.sdf -rw-rw-r-- root/root 1633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n1o_lsa.sdf -rw-rw-r-- root/root 1430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n1p_wm1.sdf -rw-rw-r-- root/root 2002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n1q_wm2.sdf -rw-rw-r-- root/root 1784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n1r_wm3.sdf -rw-rw-r-- root/root 1690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n1s_wm4.sdf -rw-rw-r-- root/root 2527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n1t_2gd.sdf -rw-rw-r-- root/root 2894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n1u_2ge.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n1z_n1z.sdf -rw-rw-r-- root/root 2985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n32_2f8.sdf -rw-rw-r-- root/root 2985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n34_2f8.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n37_mma.sdf -rw-rw-r-- root/root 5144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n3r_2gu.sdf -rw-rw-r-- root/root 2938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n4d_xx8.sdf -rw-rw-r-- root/root 5132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n4s_2h1.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n4t_2gv.sdf -rw-rw-r-- root/root 5632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n4v_2gy.sdf -rw-rw-r-- root/root 4984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n4w_snt.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n5g_k09.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n5s_dct.sdf -rw-rw-r-- root/root 1618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n5v_fa0.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n5v_prp.sdf -rw-rw-r-- root/root 2645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n65_aqn.sdf -rw-rw-r-- root/root 2788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n6p_jms.sdf -rw-rw-r-- root/root 4007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n6y_2hv.sdf -rw-rw-r-- root/root 3830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n6z_2hw.sdf -rw-rw-r-- root/root 5044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n70_2hx.sdf -rw-rw-r-- root/root 1059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n7a_3ax.sdf -rw-rw-r-- root/root 3174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n7e_2jq.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n7g_p6g.sdf -rw-rw-r-- root/root 2645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n7u_2ja.sdf -rw-rw-r-- root/root 4028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n86_gbj.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n8d_2ks.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n8e_2kv.sdf -rw-rw-r-- root/root 1618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n8q_fa0.sdf -rw-rw-r-- root/root 4655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n8r_k08.sdf -rw-rw-r-- root/root 1744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n8s_eac.sdf -rw-rw-r-- root/root 1867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n93_6m1.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n93_prp.sdf -rw-rw-r-- root/root 1526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n94_2ho.sdf -rw-rw-r-- root/root 1559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n95_2hq.sdf -rw-rw-r-- root/root 1659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n96_6ni.sdf -rw-rw-r-- root/root 1742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n97_2hu.sdf -rw-rw-r-- root/root 2339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n98_4fc.sdf -rw-rw-r-- root/root 2692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n99_2j1.sdf -rw-rw-r-- root/root 2689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n9a_2j2.sdf -rw-rw-r-- root/root 2330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n9b_2hh.sdf -rw-rw-r-- root/root 1659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n9c_2zm.sdf -rw-rw-r-- root/root 4998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n9d_2hj.sdf -rw-rw-r-- root/root 5306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n9e_2hl.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n9e_dtt.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n9q_uq1.sdf -rw-rw-r-- root/root 1547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n9s_8hx.sdf -rw-rw-r-- root/root 2588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n9u_ris.sdf -rw-rw-r-- root/root 1372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4n9v_aza.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4na0_ar6.sdf -rw-rw-r-- root/root 5396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4na4_a1r.sdf -rw-rw-r-- root/root 7430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4na7_1t5.sdf -rw-rw-r-- root/root 6025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4na8_1t6.sdf -rw-rw-r-- root/root 5577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4na9_1t7.sdf -rw-rw-r-- root/root 5481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nah_2vj.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nah_ags.sdf -rw-rw-r-- root/root 2026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nak_pbq.sdf -rw-rw-r-- root/root 2021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nal_h70.sdf -rw-rw-r-- root/root 2011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nan_2jm.sdf -rw-rw-r-- root/root 2496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nap_dtr.sdf -rw-rw-r-- root/root 4644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nat_2w5.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nat_adp.sdf -rw-rw-r-- root/root 5752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nau_2w3.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nau_ags.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nb4_adp.sdf -rw-rw-r-- root/root 5160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nb4_sh3.sdf -rw-rw-r-- root/root 3538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nc5_fsi.sdf -rw-rw-r-- root/root 1911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nc7_i3c.sdf -rw-rw-r-- root/root 3733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ncg_2kw.sdf -rw-rw-r-- root/root 3782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ncm_704.sdf -rw-rw-r-- root/root 6722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nct_2k2.sdf -rw-rw-r-- root/root 2432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nda_niy.sdf -rw-rw-r-- root/root 1790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ndn_ppk.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ndn_sam.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ne2_adp.sdf -rw-rw-r-- root/root 4701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ne2_sh2.sdf -rw-rw-r-- root/root 1419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nej_2k1.sdf -rw-rw-r-- root/root 4851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4neu_q1a.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nev_2jr.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4new_2jr.sdf -rw-rw-r-- root/root 2189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nf5_2jj.sdf -rw-rw-r-- root/root 4050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nfi_jd5.sdf -rw-rw-r-- root/root 4551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nfl_2jw.sdf -rw-rw-r-- root/root 4564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nfn_2kc.sdf -rw-rw-r-- root/root 879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nfs_etf.sdf -rw-rw-r-- root/root 6555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nfs_naj.sdf -rw-rw-r-- root/root 6555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ng5_naj.sdf -rw-rw-r-- root/root 1545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ng5_pfb.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ng6_ipe.sdf -rw-rw-r-- root/root 2588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ng6_ris.sdf -rw-rw-r-- root/root 6615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ng9_2ke.sdf -rw-rw-r-- root/root 7218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nga_2kf.sdf -rw-rw-r-- root/root 5491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ngm_jb7.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ngn_j96.sdf -rw-rw-r-- root/root 7161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ngp_j31.sdf -rw-rw-r-- root/root 5748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ngq_j37.sdf -rw-rw-r-- root/root 6203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ngr_j21.sdf -rw-rw-r-- root/root 6371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ngs_j34.sdf -rw-rw-r-- root/root 6380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ngt_j42.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nh1_acp.sdf -rw-rw-r-- root/root 5000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nh8_2lc.sdf -rw-rw-r-- root/root 5000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nh9_2lc.sdf -rw-rw-r-- root/root 1621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nhk_pd2.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nhl_oga.sdf -rw-rw-r-- root/root 2621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nhm_un9.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nhx_oga.sdf -rw-rw-r-- root/root 1621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nhy_pd2.sdf -rw-rw-r-- root/root 2354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ni0_2p3.sdf -rw-rw-r-- root/root 5870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nie_nbh.sdf -rw-rw-r-- root/root 1976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4njb_3op.sdf -rw-rw-r-- root/root 4618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4njd_njd.sdf -rw-rw-r-- root/root 1913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4njg_hhs.sdf -rw-rw-r-- root/root 2246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4njh_2k8.sdf -rw-rw-r-- root/root 1902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4njk_2ka.sdf -rw-rw-r-- root/root 5185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nk9_2k5.sdf -rw-rw-r-- root/root 5185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nka_2k7.sdf -rw-rw-r-- root/root 2911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nkc_2hz.sdf -rw-rw-r-- root/root 2202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nkf_210.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nks_2m2.sdf -rw-rw-r-- root/root 5145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nkv_aer.sdf -rw-rw-r-- root/root 4933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nkw_plo.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nkx_str.sdf -rw-rw-r-- root/root 4871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nky_3qz.sdf -rw-rw-r-- root/root 5037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nkz_lzz.sdf -rw-rw-r-- root/root 4572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nld_2n5.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nlk_0kx.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nm3_adp.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nmh_2kg.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nns_75d.sdf -rw-rw-r-- root/root 3770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nnt_76d.sdf -rw-rw-r-- root/root 4397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4no7_2n8.sdf -rw-rw-r-- root/root 3121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4np2_2l1.sdf -rw-rw-r-- root/root 3298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4np3_2l2.sdf -rw-rw-r-- root/root 1821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4np7_dpj.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4np9_i3p.sdf -rw-rw-r-- root/root 4061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4npv_0nk.sdf -rw-rw-r-- root/root 4096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4npw_0ny.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nq5_3c7.sdf -rw-rw-r-- root/root 2226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nq6_3r9.sdf -rw-rw-r-- root/root 2746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nq7_vc2.sdf -rw-rw-r-- root/root 5537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nqn_y1z.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nr0_tcl.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nr1_oga.sdf -rw-rw-r-- root/root 3709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nr4_2lk.sdf -rw-rw-r-- root/root 5618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nr5_2ll.sdf -rw-rw-r-- root/root 6290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nr6_2ln.sdf -rw-rw-r-- root/root 6241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nr7_2lo.sdf -rw-rw-r-- root/root 5618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nr8_2ll.sdf -rw-rw-r-- root/root 1377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nr9_aly.sdf -rw-rw-r-- root/root 2789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nra_2lw.sdf -rw-rw-r-- root/root 3109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nrb_2lx.sdf -rw-rw-r-- root/root 2069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nrc_2ly.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ns0_pio.sdf -rw-rw-r-- root/root 1959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nsb_ain.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nst_adp.sdf -rw-rw-r-- root/root 3225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nt0_3du.sdf -rw-rw-r-- root/root 2079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nt3_zaw.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ntb_gsh.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ntf_gtx.sdf -rw-rw-r-- root/root 5373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ntj_azj.sdf -rw-rw-r-- root/root 911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ntk_zsp.sdf -rw-rw-r-- root/root 2246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ntm_2k8.sdf -rw-rw-r-- root/root 2146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ntx_amr.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nu1_adp.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nuc_435.sdf -rw-rw-r-- root/root 4052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nud_nud.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nue_nue.sdf -rw-rw-r-- root/root 4486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nus_2nk.sdf -rw-rw-r-- root/root 1708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nvd_1lq.sdf -rw-rw-r-- root/root 2599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nvg_2n9.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nvh_2nb.sdf -rw-rw-r-- root/root 1807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nvi_2nw.sdf -rw-rw-r-- root/root 2492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nvj_2nx.sdf -rw-rw-r-- root/root 2925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nvk_2ny.sdf -rw-rw-r-- root/root 2144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nvl_2nz.sdf -rw-rw-r-- root/root 2328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nvm_2o0.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nvn_2o1.sdf -rw-rw-r-- root/root 2164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nvo_556.sdf -rw-rw-r-- root/root 4609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nvq_2od.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nw5_2nr.sdf -rw-rw-r-- root/root 4696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nw6_2ns.sdf -rw-rw-r-- root/root 4054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nw7_2o5.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nwc_2qe.sdf -rw-rw-r-- root/root 2896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nwd_2qd.sdf -rw-rw-r-- root/root 7173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nwm_2p5.sdf -rw-rw-r-- root/root 2232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nx2_2lt.sdf -rw-rw-r-- root/root 4426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nx4_jpr.sdf -rw-rw-r-- root/root 5054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nxo_2h7.sdf -rw-rw-r-- root/root 2670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nxr_ans.sdf -rw-rw-r-- root/root 3484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nxs_2oz.sdf -rw-rw-r-- root/root 4308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nxz_1fz.sdf -rw-rw-r-- root/root 3681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nxz_6og.sdf -rw-rw-r-- root/root 5151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ny4_2qh.sdf -rw-rw-r-- root/root 5814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ny9_2q4.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nyf_4bi.sdf -rw-rw-r-- root/root 5720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nyi_2px.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nyi_gnp.sdf -rw-rw-r-- root/root 3906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nyj_2pz.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nyt_pc.sdf -rw-rw-r-- root/root 2067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nyv_15e.sdf -rw-rw-r-- root/root 4908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nyw_2o3.sdf -rw-rw-r-- root/root 5250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nyx_2o4.sdf -rw-rw-r-- root/root 3624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nz2_2qj.sdf -rw-rw-r-- root/root 4104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nz9_1jt.sdf -rw-rw-r-- root/root 2548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nzb_nse.sdf -rw-rw-r-- root/root 6115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nzn_2ou.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nzn_anp.sdf -rw-rw-r-- root/root 6377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nzo_2ov.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4nzo_anp.sdf -rw-rw-r-- root/root 4627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o04_2q8.sdf -rw-rw-r-- root/root 5950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o05_2q9.sdf -rw-rw-r-- root/root 6034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o07_fgh.sdf -rw-rw-r-- root/root 5231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o09_2r6.sdf -rw-rw-r-- root/root 5485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o0a_2p9.sdf -rw-rw-r-- root/root 5338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o0b_2qa.sdf -rw-rw-r-- root/root 1173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o0o_urf.sdf -rw-rw-r-- root/root 5744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o0r_x4z.sdf -rw-rw-r-- root/root 5094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o0t_2ol.sdf -rw-rw-r-- root/root 5094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o0v_2ol.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o0x_2oq.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o0y_2oo.sdf -rw-rw-r-- root/root 4264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o0z_2rm.sdf -rw-rw-r-- root/root 4264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o10_2qf.sdf -rw-rw-r-- root/root 4360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o12_2qg.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o13_2p1.sdf -rw-rw-r-- root/root 6264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o16_1xc.sdf -rw-rw-r-- root/root 5246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o1b_dgb.sdf -rw-rw-r-- root/root 5246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o1d_dgb.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o1l_ho4.sdf -rw-rw-r-- root/root 2235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o1y_nla.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o1z_mxm.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o27_adp.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o2a_2rr.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o2l_gtp.sdf -rw-rw-r-- root/root 5569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o2p_11v.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o2r_gdp.sdf -rw-rw-r-- root/root 4826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o33_tzn.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o3p_0kx.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o3p_8og.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o3q_xg4.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o3s_0kx.sdf -rw-rw-r-- root/root 5988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o44_2rs.sdf -rw-rw-r-- root/root 3956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o4g_2rt.sdf -rw-rw-r-- root/root 3838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o4p_1c6.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o4q_udp.sdf -rw-rw-r-- root/root 4308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o5e_1fz.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o5k_0kx.sdf -rw-rw-r-- root/root 6377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o67_1sy.sdf -rw-rw-r-- root/root 5106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o6e_2sh.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o6f_sah.sdf -rw-rw-r-- root/root 6095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o6l_2qk.sdf -rw-rw-r-- root/root 4548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o72_2r4.sdf -rw-rw-r-- root/root 3637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o77_2re.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o78_pge.sdf -rw-rw-r-- root/root 4754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o78_sav.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o79_asc.sdf -rw-rw-r-- root/root 3104 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o7a_2rf.sdf -rw-rw-r-- root/root 5398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o7b_2rj.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o7c_2rk.sdf -rw-rw-r-- root/root 3626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o7e_2rn.sdf -rw-rw-r-- root/root 5232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o7f_2rq.sdf -rw-rw-r-- root/root 4384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o7u_ss7.sdf -rw-rw-r-- root/root 5193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o7u_thf.sdf -rw-rw-r-- root/root 4060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o8e_utp.sdf -rw-rw-r-- root/root 5433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o8z_bbi.sdf -rw-rw-r-- root/root 6294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o91_ng2.sdf -rw-rw-r-- root/root 6501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o97_ntx.sdf -rw-rw-r-- root/root 6375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o9r_cy8.sdf -rw-rw-r-- root/root 4611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o9s_2ry.sdf -rw-rw-r-- root/root 5981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4o9v_nt4.sdf -rw-rw-r-- root/root 4643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oa7_2xs.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oaa_tdg.sdf -rw-rw-r-- root/root 6490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oar_2s0.sdf -rw-rw-r-- root/root 6479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oas_2sw.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oau_adp.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oav_acp.sdf -rw-rw-r-- root/root 6159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oba_2tw.sdf -rw-rw-r-- root/root 2626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4obo_2qv.sdf -rw-rw-r-- root/root 2459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4obp_2qu.sdf -rw-rw-r-- root/root 4314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4obq_2qt.sdf -rw-rw-r-- root/root 2034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4obr_idr.sdf -rw-rw-r-- root/root 4349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4obz_2s4.sdf -rw-rw-r-- root/root 4549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oc0_2r7.sdf -rw-rw-r-- root/root 4903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oc1_2qs.sdf -rw-rw-r-- root/root 4630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oc2_2qq.sdf -rw-rw-r-- root/root 5091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oc3_2qp.sdf -rw-rw-r-- root/root 5268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oc4_2qn.sdf -rw-rw-r-- root/root 5185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oc5_2qm.sdf -rw-rw-r-- root/root 8913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oc6_2s1.sdf -rw-rw-r-- root/root 3401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oc7_2qo.sdf -rw-rw-r-- root/root 7470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oca_2qr.sdf -rw-rw-r-- root/root 6052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4occ_2tz.sdf -rw-rw-r-- root/root 2633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ocj_ndg.sdf -rw-rw-r-- root/root 3199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oco_gn1.sdf -rw-rw-r-- root/root 3199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ocp_gn1.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ocz_2ru.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4od0_2rv.sdf -rw-rw-r-- root/root 6591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4od9_2rz.sdf -rw-rw-r-- root/root 7420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ode_2u0.sdf -rw-rw-r-- root/root 7244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4odf_2u1.sdf -rw-rw-r-- root/root 1943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oek_pea.sdf -rw-rw-r-- root/root 5171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oew_5io.sdf -rw-rw-r-- root/root 5162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oex_5eo.sdf -rw-rw-r-- root/root 5861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4og3_2s6.sdf -rw-rw-r-- root/root 5861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4og4_2vk.sdf -rw-rw-r-- root/root 5778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4og5_2s7.sdf -rw-rw-r-- root/root 5872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4og6_2s9.sdf -rw-rw-r-- root/root 6132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4og7_2se.sdf -rw-rw-r-- root/root 5944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4og8_2sf.sdf -rw-rw-r-- root/root 1550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4og8_tbf.sdf -rw-rw-r-- root/root 4915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ogb_2sr.sdf -rw-rw-r-- root/root 7411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ogn_2u5.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ogr_adn.sdf -rw-rw-r-- root/root 7244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ogt_2u6.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ogu_ipe.sdf -rw-rw-r-- root/root 6052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ogv_2u7.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oh4_anp.sdf -rw-rw-r-- root/root 2889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oha_hft.sdf -rw-rw-r-- root/root 5457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ohk_2te.sdf -rw-rw-r-- root/root 5102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ohm_2tf.sdf -rw-rw-r-- root/root 4758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oho_2tg.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ohp_2tj.sdf -rw-rw-r-- root/root 3816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ohu_2tk.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ohu_nad.sdf -rw-rw-r-- root/root 3901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oim_jus.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oim_nad.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oio_atp.sdf -rw-rw-r-- root/root 8874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oir_rfv.sdf -rw-rw-r-- root/root 5444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oiv_xx9.sdf -rw-rw-r-- root/root 1870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oj8_2tq.sdf -rw-rw-r-- root/root 3977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ojb_198.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ojn_1pe.sdf -rw-rw-r-- root/root 2070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ojq_2sx.sdf -rw-rw-r-- root/root 5551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ojr_2sq.sdf -rw-rw-r-- root/root 3076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ojt_2wp.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ojt_ade.sdf -rw-rw-r-- root/root 3239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ok3_2sy.sdf -rw-rw-r-- root/root 3417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ok5_2t2.sdf -rw-rw-r-- root/root 3808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ok6_2t7.sdf -rw-rw-r-- root/root 6403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4okg_2sz.sdf -rw-rw-r-- root/root 6184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4okn_kan.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4okn_nai.sdf -rw-rw-r-- root/root 657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4okn_oxl.sdf -rw-rw-r-- root/root 5070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oks_2t9.sdf -rw-rw-r-- root/root 2224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4old_2uz.sdf -rw-rw-r-- root/root 5332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4olh_2to.sdf -rw-rw-r-- root/root 3335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oli_2tt.sdf -rw-rw-r-- root/root 7150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4omj_2tx.sdf -rw-rw-r-- root/root 7034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4omk_sql.sdf -rw-rw-r-- root/root 4238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4onc_40b.sdf -rw-rw-r-- root/root 11083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oni_p6l.sdf -rw-rw-r-- root/root 4171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oo9_2u8.sdf -rw-rw-r-- root/root 1931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ooe_fom.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ooe_ndp.sdf -rw-rw-r-- root/root 1931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oof_fom.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oof_ndp.sdf -rw-rw-r-- root/root 3897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4op1_2uw.sdf -rw-rw-r-- root/root 4231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4op2_2ux.sdf -rw-rw-r-- root/root 5148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4op3_2uy.sdf -rw-rw-r-- root/root 5061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4opn_zbf.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4opp_11z.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oq3_2v8.sdf -rw-rw-r-- root/root 5516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oq5_2uu.sdf -rw-rw-r-- root/root 3204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oq6_2uv.sdf -rw-rw-r-- root/root 2809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oql_f2u.sdf -rw-rw-r-- root/root 2798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oqm_fdu.sdf -rw-rw-r-- root/root 2787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oqn_edu.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oqq_bcn.sdf -rw-rw-r-- root/root 3209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oqv_2v6.sdf -rw-rw-r-- root/root 3047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oqx_edv.sdf -rw-rw-r-- root/root 2849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4or0_nps.sdf -rw-rw-r-- root/root 4034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4or2_fm9.sdf -rw-rw-r-- root/root 4402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4or4_m7g.sdf -rw-rw-r-- root/root 183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4or5_yt3.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4or6_gdp.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4or7_25u.sdf -rw-rw-r-- root/root 3209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ori_2v6.sdf -rw-rw-r-- root/root 3209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4orm_2v6.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oro_gdp.sdf -rw-rw-r-- root/root 8921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4orr_pe3.sdf -rw-rw-r-- root/root 17172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oru_peu.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4orv_xxc.sdf -rw-rw-r-- root/root 17172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4orx_peu.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4osg_06u.sdf -rw-rw-r-- root/root 2849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ot2_nps.sdf -rw-rw-r-- root/root 7349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ot5_481.sdf -rw-rw-r-- root/root 6508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ot6_2v1.sdf -rw-rw-r-- root/root 7172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4otf_2vl.sdf -rw-rw-r-- root/root 4841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4otg_2v9.sdf -rw-rw-r-- root/root 5150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oth_drn.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oti_mi1.sdf -rw-rw-r-- root/root 10530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4otj_ixp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4otp_adp.sdf -rw-rw-r-- root/root 5813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4otq_2v2.sdf -rw-rw-r-- root/root 7550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4otr_2v3.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4otw_db8.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oty_lur.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oug_plm.sdf -rw-rw-r-- root/root 2692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ovf_2vg.sdf -rw-rw-r-- root/root 3312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ovg_2vf.sdf -rw-rw-r-- root/root 3865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ovh_2ve.sdf -rw-rw-r-- root/root 2896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ovl_1td.sdf -rw-rw-r-- root/root 5083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ovz_p85.sdf -rw-rw-r-- root/root 5083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ow0_s88.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4owg_pep.sdf -rw-rw-r-- root/root 1618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4owm_3f0.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4owm_prp.sdf -rw-rw-r-- root/root 1618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4own_5rg.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4own_prp.sdf -rw-rw-r-- root/root 1618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4owo_6f0.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4owo_prp.sdf -rw-rw-r-- root/root 1867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4owq_3m0.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4owq_prp.sdf -rw-rw-r-- root/root 1867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ows_4m0.sdf -rw-rw-r-- root/root 1867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4owu_5m0.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4owu_prp.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4owv_be2.sdf -rw-rw-r-- root/root 4420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oxk_1s5.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oxk_nad.sdf -rw-rw-r-- root/root 4420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oxn_1s5.sdf -rw-rw-r-- root/root 1373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oxn_2nv.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oxn_nad.sdf -rw-rw-r-- root/root 3510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oxy_1tn.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oxy_nad.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oy3_sah.sdf -rw-rw-r-- root/root 3296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oyr_1us.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oyr_nad.sdf -rw-rw-r-- root/root 4845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oys_1tt.sdf -rw-rw-r-- root/root 9224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4oze_24g.sdf -rw-rw-r-- root/root 1827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p05_4ns.sdf -rw-rw-r-- root/root 2361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p06_mux.sdf -rw-rw-r-- root/root 3899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p0n_1ir.sdf -rw-rw-r-- root/root 3899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p0n_1is.sdf -rw-rw-r-- root/root 4432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p0v_1wo.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p0w_1xh.sdf -rw-rw-r-- root/root 4432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p0x_1wo.sdf -rw-rw-r-- root/root 3785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p10_2b8.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p1h_ben.sdf -rw-rw-r-- root/root 3887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p1r_2kr.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p1u_21g.sdf -rw-rw-r-- root/root 4308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p2h_1fz.sdf -rw-rw-r-- root/root 6082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p2t_24q.sdf -rw-rw-r-- root/root 5610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p38_21t.sdf -rw-rw-r-- root/root 5658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p3h_25g.sdf -rw-rw-r-- root/root 6949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p3n_2cr.sdf -rw-rw-r-- root/root 6949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p3p_2cr.sdf -rw-rw-r-- root/root 5961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p44_2f7.sdf -rw-rw-r-- root/root 5701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p45_2f9.sdf -rw-rw-r-- root/root 4617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p4b_2g2.sdf -rw-rw-r-- root/root 3712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p4c_25q.sdf -rw-rw-r-- root/root 4003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p4d_2gr.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p4e_2g4.sdf -rw-rw-r-- root/root 4287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p4f_2gb.sdf -rw-rw-r-- root/root 4285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p4i_2g5.sdf -rw-rw-r-- root/root 4285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p4j_2h9.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p54_mta.sdf -rw-rw-r-- root/root 2048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p58_2f6.sdf -rw-rw-r-- root/root 4702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p5d_n6p.sdf -rw-rw-r-- root/root 4762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p5q_q0b.sdf -rw-rw-r-- root/root 5101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p5z_q7m.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p66_mtx.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p68_mtx.sdf -rw-rw-r-- root/root 2203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p6c_res.sdf -rw-rw-r-- root/root 5166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p6e_2fc.sdf -rw-rw-r-- root/root 5826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p6g_2fz.sdf -rw-rw-r-- root/root 2203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p6p_res.sdf -rw-rw-r-- root/root 5911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p6w_mof.sdf -rw-rw-r-- root/root 5046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p6x_hcy.sdf -rw-rw-r-- root/root 3122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p72_2nl.sdf -rw-rw-r-- root/root 4585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p73_gax.sdf -rw-rw-r-- root/root 3840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p74_2u9.sdf -rw-rw-r-- root/root 2424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p75_2nm.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p77_5rp.sdf -rw-rw-r-- root/root 4859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p7e_2hb.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p7k_sfg.sdf -rw-rw-r-- root/root 2235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p7u_1ps.sdf -rw-rw-r-- root/root 3751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p8c_y22.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p8e_5rp.sdf -rw-rw-r-- root/root 3469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p8l_36c.sdf -rw-rw-r-- root/root 4073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p8m_r58.sdf -rw-rw-r-- root/root 3823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p8n_r57.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p8o_883.sdf -rw-rw-r-- root/root 3470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p8p_rg2.sdf -rw-rw-r-- root/root 86 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p8q_unl.sdf -rw-rw-r-- root/root 3563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p8t_r26.sdf -rw-rw-r-- root/root 3812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p8y_38c.sdf -rw-rw-r-- root/root 4857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p90_2k0.sdf -rw-rw-r-- root/root 10418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p9w_r3m.sdf -rw-rw-r-- root/root 10418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p9x_r3g.sdf -rw-rw-r-- root/root 11032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4p9y_2ko.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4paa_thg.sdf -rw-rw-r-- root/root 2127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pah_lnr.sdf -rw-rw-r-- root/root 1972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pax_nu1.sdf -rw-rw-r-- root/root 3283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pbr_2l7.sdf -rw-rw-r-- root/root 3283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pbs_2l7.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pbt_2lq.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pc6_gnp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pf3_hfn.sdf -rw-rw-r-- root/root 3025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pf5_m3n.sdf -rw-rw-r-- root/root 4441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pfd_2r2.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pfh_fud.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pfk_adp.sdf -rw-rw-r-- root/root 2183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pgl_sol.sdf -rw-rw-r-- root/root 2257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pgn_3io.sdf -rw-rw-r-- root/root 2056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pgp_iac.sdf -rw-rw-r-- root/root 4308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pgq_1fz.sdf -rw-rw-r-- root/root 6408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pgt_gbx.sdf -rw-rw-r-- root/root 3773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ph4_2ug.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ph9_bog.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ph9_ibp.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pha_0kx.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4phd_0kx.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4phe_xg4.sdf -rw-rw-r-- root/root 1888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4phk_2ub.sdf -rw-rw-r-- root/root 2266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4phm_2ud.sdf -rw-rw-r-- root/root 6251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4phu_2yb.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4phu_olc.sdf -rw-rw-r-- root/root 4701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4phw_2w1.sdf -rw-rw-r-- root/root 2378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pin_avi.sdf -rw-rw-r-- root/root 2378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pio_avi.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pio_sah.sdf -rw-rw-r-- root/root 5149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4piv_2w4.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pjk_adp.sdf -rw-rw-r-- root/root 3914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pjt_2yq.sdf -rw-rw-r-- root/root 3914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pjv_2yq.sdf -rw-rw-r-- root/root 4183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pk5_pkj.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pk6_pkl.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pkh_adp.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pkr_2zl.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pks_30h.sdf -rw-rw-r-- root/root 4239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pkt_30o.sdf -rw-rw-r-- root/root 4193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pku_30p.sdf -rw-rw-r-- root/root 4452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pkv_30r.sdf -rw-rw-r-- root/root 5056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pkw_gm6.sdf -rw-rw-r-- root/root 10305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ple_eph.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4plz_nai.sdf -rw-rw-r-- root/root 880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4plz_oxm.sdf -rw-rw-r-- root/root 3389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pm0_32v.sdf -rw-rw-r-- root/root 3998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pm1_esz.sdf -rw-rw-r-- root/root 4285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pme_cur.sdf -rw-rw-r-- root/root 2220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pme_fer.sdf -rw-rw-r-- root/root 5764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pmm_31v.sdf -rw-rw-r-- root/root 4415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pmp_31w.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pms_31x.sdf -rw-rw-r-- root/root 4940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pmt_31y.sdf -rw-rw-r-- root/root 2577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pnc_7np.sdf -rw-rw-r-- root/root 6447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pni_kqq.sdf -rw-rw-r-- root/root 3991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pnk_kzq.sdf -rw-rw-r-- root/root 5031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pnu_2vd.sdf -rw-rw-r-- root/root 3328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pnw_2vm.sdf -rw-rw-r-- root/root 4308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pnz_2vh.sdf -rw-rw-r-- root/root 2849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4po0_nps.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4poh_2vr.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4poj_2vp.sdf -rw-rw-r-- root/root 2769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pov_2vy.sdf -rw-rw-r-- root/root 3448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pow_op1.sdf -rw-rw-r-- root/root 3695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pox_2w2.sdf -rw-rw-r-- root/root 3448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pp0_op1.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pp3_2vz.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pp5_2w0.sdf -rw-rw-r-- root/root 4489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pp7_2vx.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pp9_2vt.sdf -rw-rw-r-- root/root 4371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ppa_2vu.sdf -rw-rw-r-- root/root 5484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ppb_2vv.sdf -rw-rw-r-- root/root 5484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ppc_2vw.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pqa_x8z.sdf -rw-rw-r-- root/root 5686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pqn_2w6.sdf -rw-rw-r-- root/root 3077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pr4_2w8.sdf -rw-rw-r-- root/root 1550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pr8_urc.sdf -rw-rw-r-- root/root 4371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4prj_2vu.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4prq_pg4.sdf -rw-rw-r-- root/root 6620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4prq_t3y.sdf -rw-rw-r-- root/root 2817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4prr_2w9.sdf -rw-rw-r-- root/root 3465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4prt_2wb.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4prx_adp.sdf -rw-rw-r-- root/root 5023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ps3_2wh.sdf -rw-rw-r-- root/root 2803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ps7_2wj.sdf -rw-rw-r-- root/root 3511 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ps8_2wk.sdf -rw-rw-r-- root/root 4392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4psq_2wl.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pss_fol.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4psy_fol.sdf -rw-rw-r-- root/root 3074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ptc_2we.sdf -rw-rw-r-- root/root 3429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pte_2wf.sdf -rw-rw-r-- root/root 3510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ptg_2wg.sdf -rw-rw-r-- root/root 1127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ptn_gxv.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pu9_adp.sdf -rw-rw-r-- root/root 2788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4puj_ckr.sdf -rw-rw-r-- root/root 2524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4puk_2wu.sdf -rw-rw-r-- root/root 2524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pul_2wu.sdf -rw-rw-r-- root/root 2524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pum_2wu.sdf -rw-rw-r-- root/root 2154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4puu_2wr.sdf -rw-rw-r-- root/root 2602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4puw_2wq.sdf -rw-rw-r-- root/root 4808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4puz_cg9.sdf -rw-rw-r-- root/root 5610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pv0_cg4.sdf -rw-rw-r-- root/root 7143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pv5_cbw.sdf -rw-rw-r-- root/root 3428 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pv7_cjp.sdf -rw-rw-r-- root/root 5775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pvg_2wt.sdf -rw-rw-r-- root/root 4050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pvx_ys1.sdf -rw-rw-r-- root/root 4203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pvy_jd1.sdf -rw-rw-r-- root/root 3661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pwf_pwf.sdf -rw-rw-r-- root/root 3871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pwi_roa.sdf -rw-rw-r-- root/root 3986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pwj_30z.sdf -rw-rw-r-- root/root 4513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pwk_pwk.sdf -rw-rw-r-- root/root 4779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4px2_2wy.sdf -rw-rw-r-- root/root 4790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4px3_2wx.sdf -rw-rw-r-- root/root 5495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4px5_2wz.sdf -rw-rw-r-- root/root 4752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4px6_2x6.sdf -rw-rw-r-- root/root 5430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pxk_lfa.sdf -rw-rw-r-- root/root 5393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pxs_2y6.sdf -rw-rw-r-- root/root 4237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pxz_6ad.sdf -rw-rw-r-- root/root 4698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4py0_6at.sdf -rw-rw-r-- root/root 3879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4py1_2yk.sdf -rw-rw-r-- root/root 3578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4py2_43e.sdf -rw-rw-r-- root/root 4040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4py4_xl2.sdf -rw-rw-r-- root/root 4450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pya_2x3.sdf -rw-rw-r-- root/root 3276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pyd_8cs.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pyl_sfg.sdf -rw-rw-r-- root/root 2909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pyl_tcw.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pyo_sah.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pyp_bng.sdf -rw-rw-r-- root/root 3475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pyq_2x1.sdf -rw-rw-r-- root/root 5237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pyv_2xf.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pzr_coa.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pzs_aco.sdf -rw-rw-r-- root/root 8304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pzt_sop.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4pzy_2xr.sdf -rw-rw-r-- root/root 1252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q03_2xe.sdf -rw-rw-r-- root/root 5973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q0a_4oa.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q0l_v14.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q0n_2xd.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q0o_2xc.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q12_udp.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q18_2xj.sdf -rw-rw-r-- root/root 4387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q19_2xl.sdf -rw-rw-r-- root/root 5001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q1a_2xz.sdf -rw-rw-r-- root/root 5272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q1b_2y0.sdf -rw-rw-r-- root/root 5355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q1c_2xm.sdf -rw-rw-r-- root/root 5178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q1d_2y1.sdf -rw-rw-r-- root/root 4658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q1e_2y7.sdf -rw-rw-r-- root/root 4658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q1e_2y8.sdf -rw-rw-r-- root/root 5366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q1f_2xn.sdf -rw-rw-r-- root/root 6785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q1n_2y9.sdf -rw-rw-r-- root/root 7381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q1p_2xt.sdf -rw-rw-r-- root/root 7653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q1r_2xu.sdf -rw-rw-r-- root/root 2588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q23_ris.sdf -rw-rw-r-- root/root 4603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q26_nlc.sdf -rw-rw-r-- root/root 5668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q27_2xv.sdf -rw-rw-r-- root/root 6786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q2f_2xw.sdf -rw-rw-r-- root/root 4617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q2v_0xe.sdf -rw-rw-r-- root/root 2187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q2x_ggb.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q46_gdp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q4c_adp.sdf -rw-rw-r-- root/root 5876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q4c_i8p.sdf -rw-rw-r-- root/root 5876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q4d_2yn.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q4d_anp.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q4e_bb2.sdf -rw-rw-r-- root/root 2070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q4m_2yl.sdf -rw-rw-r-- root/root 4103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q4o_2ym.sdf -rw-rw-r-- root/root 3928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q4p_2yo.sdf -rw-rw-r-- root/root 2354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q4q_saq.sdf -rw-rw-r-- root/root 2354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q4r_sqo.sdf -rw-rw-r-- root/root 2792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q4s_s98.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q4z_atp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q5j_anp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q5s_atp.sdf -rw-rw-r-- root/root 5204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q5v_2ze.sdf -rw-rw-r-- root/root 3323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q7b_2yz.sdf -rw-rw-r-- root/root 2254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q7n_2zo.sdf -rw-rw-r-- root/root 2578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q8b_sxx.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q8e_0kx.sdf -rw-rw-r-- root/root 2788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q8o_ckr.sdf -rw-rw-r-- root/root 5543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q8s_pnr.sdf -rw-rw-r-- root/root 3700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q8t_2yv.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q8u_2yw.sdf -rw-rw-r-- root/root 3793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q8v_2yx.sdf -rw-rw-r-- root/root 3982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q8w_2yy.sdf -rw-rw-r-- root/root 2681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q93_stl.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q9f_5gp.sdf -rw-rw-r-- root/root 4034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q9m_2zw.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q9m_fpp.sdf -rw-rw-r-- root/root 4034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q9o_2zw.sdf -rw-rw-r-- root/root 2260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q9s_30g.sdf -rw-rw-r-- root/root 3761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4q9z_pzw.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qa0_shh.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qa1_b3n.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qa2_shh.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qaa_kk1.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qab_kk2.sdf -rw-rw-r-- root/root 3929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qac_kk3.sdf -rw-rw-r-- root/root 2347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qag_f95.sdf -rw-rw-r-- root/root 4218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qb8_1te.sdf -rw-rw-r-- root/root 5137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qbj_2xq.sdf -rw-rw-r-- root/root 5187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qbk_3nz.sdf -rw-rw-r-- root/root 3546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qbx_30l.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qbz_d80.sdf -rw-rw-r-- root/root 3132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qc0_xg1.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qck_asd.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qcl_dcp.sdf -rw-rw-r-- root/root 2685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qd3_5ae.sdf -rw-rw-r-- root/root 5660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qd6_30t.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qdc_asd.sdf -rw-rw-r-- root/root 6370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qdd_30q.sdf -rw-rw-r-- root/root 3419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qde_30s.sdf -rw-rw-r-- root/root 1846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qdp_arb.sdf -rw-rw-r-- root/root 3419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qdv_30u.sdf -rw-rw-r-- root/root 1839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qdw_lai.sdf -rw-rw-r-- root/root 1846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qe1_ruu.sdf -rw-rw-r-- root/root 1846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qe4_34v.sdf -rw-rw-r-- root/root 6066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qe6_jn3.sdf -rw-rw-r-- root/root 5019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qe8_31d.sdf -rw-rw-r-- root/root 3419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qeb_31g.sdf -rw-rw-r-- root/root 1846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qee_z6j.sdf -rw-rw-r-- root/root 1856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qeh_32o.sdf -rw-rw-r-- root/root 1780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qem_hc4.sdf -rw-rw-r-- root/root 2681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qer_stl.sdf -rw-rw-r-- root/root 4688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qev_31o.sdf -rw-rw-r-- root/root 4948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qew_31p.sdf -rw-rw-r-- root/root 4951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qf7_c0r.sdf -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qf8_spd.sdf -rw-rw-r-- root/root 2948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qf9_35k.sdf -rw-rw-r-- root/root 4077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qfc_31t.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qfd_31r.sdf -rw-rw-r-- root/root 3561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qfr_32j.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qfr_adp.sdf -rw-rw-r-- root/root 5563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qg7_32k.sdf -rw-rw-r-- root/root 5220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qga_31z.sdf -rw-rw-r-- root/root 4836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qge_35o.sdf -rw-rw-r-- root/root 6083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qgf_32b.sdf -rw-rw-r-- root/root 6260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qgg_32c.sdf -rw-rw-r-- root/root 6260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qgh_32e.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qgw_b3p.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qhc_33v.sdf -rw-rw-r-- root/root 3511 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qho_nkg.sdf -rw-rw-r-- root/root 3928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qhv_ixf.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qib_pe4.sdf -rw-rw-r-- root/root 5633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qim_a8t.sdf -rw-rw-r-- root/root 5665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qin_sg8.sdf -rw-rw-r-- root/root 3818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qip_sds.sdf -rw-rw-r-- root/root 5136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qiz_wwx.sdf -rw-rw-r-- root/root 5136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qj0_wwx.sdf -rw-rw-r-- root/root 3810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qj1_n09.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qj4_i3p.sdf -rw-rw-r-- root/root 3169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qjc_ixe.sdf -rw-rw-r-- root/root 4688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qjo_v1f.sdf -rw-rw-r-- root/root 4688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qjp_v1f.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qjq_otr.sdf -rw-rw-r-- root/root 13171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qjr_piz.sdf -rw-rw-r-- root/root 3873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qjw_wwo.sdf -rw-rw-r-- root/root 3873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qjx_wwo.sdf -rw-rw-r-- root/root 3703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qjz_33m.sdf -rw-rw-r-- root/root 12713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qk4_pik.sdf -rw-rw-r-- root/root 2788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qkn_jms.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qkn_oga.sdf -rw-rw-r-- root/root 3694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qkz_qzk.sdf -rw-rw-r-- root/root 5833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ql1_35q.sdf -rw-rw-r-- root/root 3401 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ql8_jad.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qle_fol.sdf -rw-rw-r-- root/root 7841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qlj_ctt.sdf -rw-rw-r-- root/root 7841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qlk_ctt.sdf -rw-rw-r-- root/root 7841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qll_ctt.sdf -rw-rw-r-- root/root 5258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qm0_39k.sdf -rw-rw-r-- root/root 3014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qmc_bso.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qml_anp.sdf -rw-rw-r-- root/root 4670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qmm_35r.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qmn_db8.sdf -rw-rw-r-- root/root 2575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qmo_34l.sdf -rw-rw-r-- root/root 3824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qmp_dki.sdf -rw-rw-r-- root/root 5293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qmq_34u.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qms_1n1.sdf -rw-rw-r-- root/root 6273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qmt_h1n.sdf -rw-rw-r-- root/root 3624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qmu_ske.sdf -rw-rw-r-- root/root 5409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qmv_34w.sdf -rw-rw-r-- root/root 3797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qmw_ks1.sdf -rw-rw-r-- root/root 6370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qmx_h8h.sdf -rw-rw-r-- root/root 5074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qmz_b49.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qn6_lnv.sdf -rw-rw-r-- root/root 2247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qna_x11.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qnc_mys.sdf -rw-rw-r-- root/root 10830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qnq_1xj.sdf -rw-rw-r-- root/root 6352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qo4_35s.sdf -rw-rw-r-- root/root 1130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qo7_2op.sdf -rw-rw-r-- root/root 3630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qo7_36v.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qo7_nai.sdf -rw-rw-r-- root/root 3437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qo8_36u.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qo8_nai.sdf -rw-rw-r-- root/root 5910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qo9_627.sdf -rw-rw-r-- root/root 6609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qoc_35t.sdf -rw-rw-r-- root/root 3012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qog_ml1.sdf -rw-rw-r-- root/root 2681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qoh_stl.sdf -rw-rw-r-- root/root 3008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qox_dxr.sdf -rw-rw-r-- root/root 2614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qp1_emu.sdf -rw-rw-r-- root/root 1540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qp2_36r.sdf -rw-rw-r-- root/root 3229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qp3_36q.sdf -rw-rw-r-- root/root 2853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qp4_36o.sdf -rw-rw-r-- root/root 2001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qp7_363.sdf -rw-rw-r-- root/root 2826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qp8_362.sdf -rw-rw-r-- root/root 3606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qp9_35x.sdf -rw-rw-r-- root/root 3995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qpa_35w.sdf -rw-rw-r-- root/root 2871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qpf_39l.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qpm_adp.sdf -rw-rw-r-- root/root 4384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qpp_36s.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qpz_tpp.sdf -rw-rw-r-- root/root 2742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qq6_36x.sdf -rw-rw-r-- root/root 2742 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qqd_36x.sdf -rw-rw-r-- root/root 5608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qqe_37f.sdf -rw-rw-r-- root/root 4508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qqn_3bq.sdf -rw-rw-r-- root/root 7851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qqu_39s.sdf -rw-rw-r-- root/root 4406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qr5_bnm.sdf -rw-rw-r-- root/root 3533 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qr6_37v.sdf -rw-rw-r-- root/root 3388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qrf_qap.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qsi_ewz.sdf -rw-rw-r-- root/root 3247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qsj_eww.sdf -rw-rw-r-- root/root 4889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qsm_38k.sdf -rw-rw-r-- root/root 1377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qsp_aly.sdf -rw-rw-r-- root/root 1489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qss_mb3.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qst_12q.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qsu_tdr.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qsv_thm.sdf -rw-rw-r-- root/root 2954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qsw_38t.sdf -rw-rw-r-- root/root 2766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qsx_38s.sdf -rw-rw-r-- root/root 4795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qt0_38q.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qt1_3c9.sdf -rw-rw-r-- root/root 7015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qta_38z.sdf -rw-rw-r-- root/root 7015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qtb_38z.sdf -rw-rw-r-- root/root 7015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qtc_38z.sdf -rw-rw-r-- root/root 7015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qtd_38z.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qtd_anp.sdf -rw-rw-r-- root/root 4958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qte_390.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qu8_dtt.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qui_dtt.sdf -rw-rw-r-- root/root 7216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qvx_3cq.sdf -rw-rw-r-- root/root 3881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qw9_0g4.sdf -rw-rw-r-- root/root 3330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qwa_0g8.sdf -rw-rw-r-- root/root 3591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qwb_yyy.sdf -rw-rw-r-- root/root 3871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qwd_3tt.sdf -rw-rw-r-- root/root 3506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qwe_ftd.sdf -rw-rw-r-- root/root 2461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qx4_3e2.sdf -rw-rw-r-- root/root 1794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qx5_cmp.sdf -rw-rw-r-- root/root 3507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qxi_i98.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qxm_713.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qxm_nad.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qxo_1ye.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qxp_1ye.sdf -rw-rw-r-- root/root 3248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qxq_1ye.sdf -rw-rw-r-- root/root 5173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qxs_wc1.sdf -rw-rw-r-- root/root 3162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qye_3dl.sdf -rw-rw-r-- root/root 3338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qyf_3dv.sdf -rw-rw-r-- root/root 4591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qyg_3dw.sdf -rw-rw-r-- root/root 4415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qyh_3dx.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qyn_rtl.sdf -rw-rw-r-- root/root 4447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qyp_ret.sdf -rw-rw-r-- root/root 1939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qyq_3cj.sdf -rw-rw-r-- root/root 5706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qyy_3g7.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qz9_dct.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qzb_dct.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qzc_dct.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qzd_dct.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4qzu_rtl.sdf -rw-rw-r-- root/root 5326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r06_3e7.sdf -rw-rw-r-- root/root 2685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r0a_uri.sdf -rw-rw-r-- root/root 6323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r0i_3km.sdf -rw-rw-r-- root/root 1999 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r1q_sst.sdf -rw-rw-r-- root/root 5932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r1v_3e8.sdf -rw-rw-r-- root/root 6310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r1y_3eh.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r3c_3gf.sdf -rw-rw-r-- root/root 4357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r3m_jr9.sdf -rw-rw-r-- root/root 5486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r4c_3hs.sdf -rw-rw-r-- root/root 5842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r4i_3hv.sdf -rw-rw-r-- root/root 5475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r4o_3hw.sdf -rw-rw-r-- root/root 5995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r4q_3hz.sdf -rw-rw-r-- root/root 5475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r4t_3j0.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r57_aco.sdf -rw-rw-r-- root/root 4264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r59_3j3.sdf -rw-rw-r-- root/root 4332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r5g_3je.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r5m_4no.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r5m_nap.sdf -rw-rw-r-- root/root 4009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r5t_r5t.sdf -rw-rw-r-- root/root 3915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r5v_r5v.sdf -rw-rw-r-- root/root 2993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r5w_xav.sdf -rw-rw-r-- root/root 3968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r5x_r5x.sdf -rw-rw-r-- root/root 4841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r5y_3k3.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r68_nai.sdf -rw-rw-r-- root/root 5412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r68_w31.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r69_nai.sdf -rw-rw-r-- root/root 4859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r69_w13.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r6a_hb2.sdf -rw-rw-r-- root/root 4042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r6e_3jd.sdf -rw-rw-r-- root/root 2455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r6n_mbg.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r6r_147.sdf -rw-rw-r-- root/root 4090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r7h_p31.sdf -rw-rw-r-- root/root 6180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r7i_sti.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r7l_shh.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r87_coa.sdf -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r8m_3lx.sdf -rw-rw-r-- root/root 6256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r8y_3ko.sdf -rw-rw-r-- root/root 6328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r91_3kt.sdf -rw-rw-r-- root/root 6195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r92_3ku.sdf -rw-rw-r-- root/root 6562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r95_3kw.sdf -rw-rw-r-- root/root 2651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r9j_3lj.sdf -rw-rw-r-- root/root 3813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r9r_3kx.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r9r_nad.sdf -rw-rw-r-- root/root 4333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r9s_3ky.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4r9s_nad.sdf -rw-rw-r-- root/root 5284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ra4_3kz.sdf -rw-rw-r-- root/root 5190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ra5_3l0.sdf -rw-rw-r-- root/root 4485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rab_3l3.sdf -rw-rw-r-- root/root 4380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rac_3l4.sdf -rw-rw-r-- root/root 4806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rad_3l5.sdf -rw-rw-r-- root/root 5807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rak_652.sdf -rw-rw-r-- root/root 3912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ram_pnm.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ran_3l6.sdf -rw-rw-r-- root/root 4464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rao_3l7.sdf -rw-rw-r-- root/root 4370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4raq_3l8.sdf -rw-rw-r-- root/root 4082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4raw_zz7.sdf -rw-rw-r-- root/root 2654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rbl_3o7.sdf -rw-rw-r-- root/root 4133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rc2_3o8.sdf -rw-rw-r-- root/root 5276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rc3_3oa.sdf -rw-rw-r-- root/root 4216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rc4_3ok.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rc5_pl3.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rc7_pl3.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rc8_ste.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rcd_3ll.sdf -rw-rw-r-- root/root 5035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rce_3ln.sdf -rw-rw-r-- root/root 4813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rcf_3lo.sdf -rw-rw-r-- root/root 4218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rch_3lz.sdf -rw-rw-r-- root/root 1388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rcv_de2.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rcv_ndp.sdf -rw-rw-r-- root/root 4204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rdd_3lu.sdf -rw-rw-r-- root/root 5054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4re9_3m9.sdf -rw-rw-r-- root/root 5583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4res_buf.sdf -rw-rw-r-- root/root 4240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rfc_3o1.sdf -rw-rw-r-- root/root 5767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rfm_3p6.sdf -rw-rw-r-- root/root 2748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rfr_rhn.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rfw_3rb.sdf -rw-rw-r-- root/root 7360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rfy_3ou.sdf -rw-rw-r-- root/root 7205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rfz_3ov.sdf -rw-rw-r-- root/root 7714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rg0_3p0.sdf -rw-rw-r-- root/root 3505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rg2_3oo.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rgq_13p.sdf -rw-rw-r-- root/root 1754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rgq_1gp.sdf -rw-rw-r-- root/root 1857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rhn_rib.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rht_5gp.sdf -rw-rw-r-- root/root 4463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rhu_3qe.sdf -rw-rw-r-- root/root 4463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rhu_45t.sdf -rw-rw-r-- root/root 5337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rhx_3qf.sdf -rw-rw-r-- root/root 5692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rhy_3qg.sdf -rw-rw-r-- root/root 3395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rio_3qx.sdf -rw-rw-r-- root/root 4427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4riu_3qr.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4riw_adp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4riw_anp.sdf -rw-rw-r-- root/root 5462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rj4_3qw.sdf -rw-rw-r-- root/root 4682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rj5_3qy.sdf -rw-rw-r-- root/root 4599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rj6_3r0.sdf -rw-rw-r-- root/root 4584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rj7_3r1.sdf -rw-rw-r-- root/root 5179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rj8_3qs.sdf -rw-rw-r-- root/root 3827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rk8_3rv.sdf -rw-rw-r-- root/root 3982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rka_3ry.sdf -rw-rw-r-- root/root 1935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rks_mev.sdf -rw-rw-r-- root/root 2223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rkx_3s9.sdf -rw-rw-r-- root/root 2451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rkz_3s4.sdf -rw-rw-r-- root/root 4405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rl0_3s0.sdf -rw-rw-r-- root/root 4119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rl2_3s3.sdf -rw-rw-r-- root/root 3865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rli_3sh.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rlj_p6g.sdf -rw-rw-r-- root/root 3637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rlk_e91.sdf -rw-rw-r-- root/root 3637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rll_e91.sdf -rw-rw-r-- root/root 3616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rls_49c.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rls_nai.sdf -rw-rw-r-- root/root 2904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rlt_fse.sdf -rw-rw-r-- root/root 2873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rlu_hcc.sdf -rw-rw-r-- root/root 2958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rlw_bun.sdf -rw-rw-r-- root/root 5745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rmc_3sv.sdf -rw-rw-r-- root/root 5354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rmd_3sw.sdf -rw-rw-r-- root/root 5507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rme_3t2.sdf -rw-rw-r-- root/root 4490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rmg_3te.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rmg_nad.sdf -rw-rw-r-- root/root 4490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rmh_3te.sdf -rw-rw-r-- root/root 1377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rmh_aly.sdf -rw-rw-r-- root/root 3935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rmi_3tk.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rmj_ar6.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rmj_nca.sdf -rw-rw-r-- root/root 5507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rn0_l6g.sdf -rw-rw-r-- root/root 5768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rn1_l8g.sdf -rw-rw-r-- root/root 5768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rn2_l7g.sdf -rw-rw-r-- root/root 6363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rn6_15u.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rnn_xg4.sdf -rw-rw-r-- root/root 4605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rnq_a4s.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rp8_asc.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rpg_gdu.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rpg_udp.sdf -rw-rw-r-- root/root 5314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rpk_3ua.sdf -rw-rw-r-- root/root 5336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rpl_3uc.sdf -rw-rw-r-- root/root 1291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rpn_pci.sdf -rw-rw-r-- root/root 1268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rpo_t6c.sdf -rw-rw-r-- root/root 4446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rpq_3uh.sdf -rw-rw-r-- root/root 5141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rpu_3ue.sdf -rw-rw-r-- root/root 4601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rpv_3ur.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rpx_dcp.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rq3_dtp.sdf -rw-rw-r-- root/root 1249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rq4_ppv.sdf -rw-rw-r-- root/root 3034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rqk_r1s.sdf -rw-rw-r-- root/root 2356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rql_sne.sdf -rw-rw-r-- root/root 3034 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rqv_r2s.sdf -rw-rw-r-- root/root 4890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rr4_3v1.sdf -rw-rw-r-- root/root 4338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rrn_3uw.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rro_3ux.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rrq_a3s.sdf -rw-rw-r-- root/root 4279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rrr_a3t.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rrt_3v4.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rrw_lur.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rrx_lur.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rry_bog.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rs0_bog.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rs0_ibp.sdf -rw-rw-r-- root/root 1906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rs3_xyl.sdf -rw-rw-r-- root/root 3944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rsc_a3v.sdf -rw-rw-r-- root/root 4558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rse_a6v.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rsk_u3p.sdf -rw-rw-r-- root/root 5287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rss_4mg.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rsy_b3n.sdf -rw-rw-r-- root/root 4473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rt2_n6t.sdf -rw-rw-r-- root/root 4473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rt3_c6t.sdf -rw-rw-r-- root/root 6562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rt7_p30.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ru9_0kx.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rua_dtp.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rub_cap.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ruc_dtp.sdf -rw-rw-r-- root/root 2356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rui_sne.sdf -rw-rw-r-- root/root 6572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ruj_vdx.sdf -rw-rw-r-- root/root 7965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ruo_biv.sdf -rw-rw-r-- root/root 7597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rup_h97.sdf -rw-rw-r-- root/root 5057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rut_lm8.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rv4_prp.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rv6_rpb.sdf -rw-rw-r-- root/root 4917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rv8_i13.sdf -rw-rw-r-- root/root 3539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rvk_3xk.sdf -rw-rw-r-- root/root 4499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rvm_3x7.sdf -rw-rw-r-- root/root 4300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rvr_3wq.sdf -rw-rw-r-- root/root 3744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rvt_3xm.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rvz_acp.sdf -rw-rw-r-- root/root 2513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rw3_ipd.sdf -rw-rw-r-- root/root 2332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rw5_oca.sdf -rw-rw-r-- root/root 4166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rw7_3x6.sdf -rw-rw-r-- root/root 6039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rwk_66t.sdf -rw-rw-r-- root/root 5315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rwl_3zc.sdf -rw-rw-r-- root/root 13171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rwv_piz.sdf -rw-rw-r-- root/root 5706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rx5_3yo.sdf -rw-rw-r-- root/root 4653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rx7_3yv.sdf -rw-rw-r-- root/root 4480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rx8_3yx.sdf -rw-rw-r-- root/root 4751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rx9_3yt.sdf -rw-rw-r-- root/root 6236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rxa_3f2.sdf -rw-rw-r-- root/root 4060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ry5_utp.sdf -rw-rw-r-- root/root 6819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ryc_3zk.sdf -rw-rw-r-- root/root 6819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ryg_3zj.sdf -rw-rw-r-- root/root 4195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ryi_pka.sdf -rw-rw-r-- root/root 3655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ryl_3zg.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ryn_pge.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ryv_zea.sdf -rw-rw-r-- root/root 3944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ryz_a5v.sdf -rw-rw-r-- root/root 6819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rz1_3zn.sdf -rw-rw-r-- root/root 5437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rzg_zhn.sdf -rw-rw-r-- root/root 3733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rzq_y7y.sdf -rw-rw-r-- root/root 3838 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rzt_40j.sdf -rw-rw-r-- root/root 4720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4rzv_032.sdf -rw-rw-r-- root/root 5558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4s0t_40u.sdf -rw-rw-r-- root/root 5041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4s0v_suv.sdf -rw-rw-r-- root/root 6941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4s15_4d8.sdf -rw-rw-r-- root/root 5424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4s1g_43t.sdf -rw-rw-r-- root/root 2479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4s23_h6p.sdf -rw-rw-r-- root/root 860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4s3d_dpo.sdf -rw-rw-r-- root/root 1943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4s3f_43w.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4skn_ura.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4sli_cnp.sdf -rw-rw-r-- root/root 3044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4std_bfs.sdf -rw-rw-r-- root/root 2812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tju_cnq.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tjz_dka.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tk0_32z.sdf -rw-rw-r-- root/root 3371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tkb_dao.sdf -rw-rw-r-- root/root 4809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tkf_33c.sdf -rw-rw-r-- root/root 1681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tkf_3ab.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tkh_myr.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tkj_plm.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tln_lno.sdf -rw-rw-r-- root/root 5113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tmf_js2.sdf -rw-rw-r-- root/root 4464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tn2_33j.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tn6_pfo.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tnb_sgv.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tnd_anp.sdf -rw-rw-r-- root/root 5637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tor_iw8.sdf -rw-rw-r-- root/root 6821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tos_355.sdf -rw-rw-r-- root/root 6049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tpk_3f9.sdf -rw-rw-r-- root/root 4940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tpm_35e.sdf -rw-rw-r-- root/root 5589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tpp_35d.sdf -rw-rw-r-- root/root 5009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tpt_35h.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tpw_33r.sdf -rw-rw-r-- root/root 3849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tqb_34k.sdf -rw-rw-r-- root/root 4205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tqc_34j.sdf -rw-rw-r-- root/root 2811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tqh_es8.sdf -rw-rw-r-- root/root 3748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tqn_ul4.sdf -rw-rw-r-- root/root 3956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tqp_48r.sdf -rw-rw-r-- root/root 3038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tqr_doc.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tqr_ttp.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tqs_dcp.sdf -rw-rw-r-- root/root 2903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tr9_38d.sdf -rw-rw-r-- root/root 6943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tri_c3s.sdf -rw-rw-r-- root/root 3914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4trj_665.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4trj_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4trn_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tro_nad.sdf -rw-rw-r-- root/root 2978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ts8_xz8.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ts9_fmc.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tsn_pc.sdf -rw-rw-r-- root/root 6314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tso_hxg.sdf -rw-rw-r-- root/root 6314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tsp_hxg.sdf -rw-rw-r-- root/root 6314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tsq_hxg.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tsq_pc.sdf -rw-rw-r-- root/root 3662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tsr_ihs.sdf -rw-rw-r-- root/root 6563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tsy_hxj.sdf -rw-rw-r-- root/root 2954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tte_36z.sdf -rw-rw-r-- root/root 5221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tth_24v.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tti_fmc.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ttj_fmc.sdf -rw-rw-r-- root/root 6856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ttv_bc9.sdf -rw-rw-r-- root/root 3885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tu4_37n.sdf -rw-rw-r-- root/root 7084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tuh_38h.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tun_mvh.sdf -rw-rw-r-- root/root 1798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tuv_cpz.sdf -rw-rw-r-- root/root 5272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tv3_ml9.sdf -rw-rw-r-- root/root 5705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tva_puy.sdf -rw-rw-r-- root/root 5056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tvj_09l.sdf -rw-rw-r-- root/root 4971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tvk_tjh.sdf -rw-rw-r-- root/root 3760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tvy_37r.sdf -rw-rw-r-- root/root 8812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tw6_37l.sdf -rw-rw-r-- root/root 10575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tw7_37k.sdf -rw-rw-r-- root/root 11823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tw8_37m.sdf -rw-rw-r-- root/root 4327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tw9_386.sdf -rw-rw-r-- root/root 4304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4twc_37j.sdf -rw-rw-r-- root/root 3077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4twd_377.sdf -rw-rw-r-- root/root 6865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4twn_b96.sdf -rw-rw-r-- root/root 4370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4two_37w.sdf -rw-rw-r-- root/root 4252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4twp_axi.sdf -rw-rw-r-- root/root 2708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4twt_38a.sdf -rw-rw-r-- root/root 5332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tww_3a7.sdf -rw-rw-r-- root/root 5342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tx0_384.sdf -rw-rw-r-- root/root 2811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tx6_38b.sdf -rw-rw-r-- root/root 5374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4txc_38g.sdf -rw-rw-r-- root/root 4349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4txe_38f.sdf -rw-rw-r-- root/root 4596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ty1_38w.sdf -rw-rw-r-- root/root 5791 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ty6_39d.sdf -rw-rw-r-- root/root 5909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ty7_39f.sdf -rw-rw-r-- root/root 1887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ty8_3av.sdf -rw-rw-r-- root/root 1717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tya_3ae.sdf -rw-rw-r-- root/root 2665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tyb_3b1.sdf -rw-rw-r-- root/root 8861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tyd_3eo.sdf -rw-rw-r-- root/root 5081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tyh_39g.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tyi_38o.sdf -rw-rw-r-- root/root 6026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tyj_0li.sdf -rw-rw-r-- root/root 2495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tyl_39o.sdf -rw-rw-r-- root/root 4069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tyo_39x.sdf -rw-rw-r-- root/root 1903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tyt_s3c.sdf -rw-rw-r-- root/root 2801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tz2_39r.sdf -rw-rw-r-- root/root 2495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tz8_39u.sdf -rw-rw-r-- root/root 2727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tzc_ef2.sdf -rw-rw-r-- root/root 3925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tzk_641.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tzk_nad.sdf -rw-rw-r-- root/root 4174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tzt_468.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tzt_nad.sdf -rw-rw-r-- root/root 2897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4tzu_y70.sdf -rw-rw-r-- root/root 8872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u01_39w.sdf -rw-rw-r-- root/root 6026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u0i_0li.sdf -rw-rw-r-- root/root 3906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u0j_566.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u0j_nad.sdf -rw-rw-r-- root/root 4174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u0k_744.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u0k_nad.sdf -rw-rw-r-- root/root 4418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u15_0hk.sdf -rw-rw-r-- root/root 4298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u16_3c0.sdf -rw-rw-r-- root/root 2938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u1b_q08.sdf -rw-rw-r-- root/root 2731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u1o_kai.sdf -rw-rw-r-- root/root 4065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u2y_rzm.sdf -rw-rw-r-- root/root 3917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u2z_fmo.sdf -rw-rw-r-- root/root 4697 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u31_mvp.sdf -rw-rw-r-- root/root 4207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u3b_3bw.sdf -rw-rw-r-- root/root 5708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u3d_3bx.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u40_anp.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u41_3c8.sdf -rw-rw-r-- root/root 2354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u43_3d8.sdf -rw-rw-r-- root/root 3263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u44_3d9.sdf -rw-rw-r-- root/root 3003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u45_3dc.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u4l_3c7.sdf -rw-rw-r-- root/root 2671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u54_3c5.sdf -rw-rw-r-- root/root 4169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u58_3c6.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u5j_rxt.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u5l_3d6.sdf -rw-rw-r-- root/root 8065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u5n_3d4.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u5o_3d5.sdf -rw-rw-r-- root/root 7864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u5s_3d0.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u5u_3d2.sdf -rw-rw-r-- root/root 3993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u5v_rh2.sdf -rw-rw-r-- root/root 2420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u69_q07.sdf -rw-rw-r-- root/root 5152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u6a_3dn.sdf -rw-rw-r-- root/root 2785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u6c_q06.sdf -rw-rw-r-- root/root 2028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u6e_q02.sdf -rw-rw-r-- root/root 2055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u6q_3cr.sdf -rw-rw-r-- root/root 6748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u6r_3e4.sdf -rw-rw-r-- root/root 1872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u6s_ppy.sdf -rw-rw-r-- root/root 2938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u6w_q08.sdf -rw-rw-r-- root/root 2420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u6z_q07.sdf -rw-rw-r-- root/root 2785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u70_q04.sdf -rw-rw-r-- root/root 2526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u71_q03.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u72_pim.sdf -rw-rw-r-- root/root 2028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u73_q02.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u74_pim.sdf -rw-rw-r-- root/root 6476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u79_3el.sdf -rw-rw-r-- root/root 1479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u7g_k17.sdf -rw-rw-r-- root/root 2179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u7h_k25.sdf -rw-rw-r-- root/root 6571 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u7v_3en.sdf -rw-rw-r-- root/root 3878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u7z_3ew.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u7z_anp.sdf -rw-rw-r-- root/root 4140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u80_3ex.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u80_anp.sdf -rw-rw-r-- root/root 4223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u81_3ey.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u81_anp.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u82_fps.sdf -rw-rw-r-- root/root 4003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u84_15p.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u8v_lmt.sdf -rw-rw-r-- root/root 5450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u8v_miy.sdf -rw-rw-r-- root/root 6781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u8w_g10.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u8z_3fe.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u91_3f7.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u93_990.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u96_lmt.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4u97_stu.sdf -rw-rw-r-- root/root 9028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uag_uag.sdf -rw-rw-r-- root/root 3073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uai_3gg.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uak_adp.sdf -rw-rw-r-- root/root 4062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ual_3fv.sdf -rw-rw-r-- root/root 2749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uau_xbp.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uaz_8dg.sdf -rw-rw-r-- root/root 2938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uba_3g5.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ubs_dif.sdf -rw-rw-r-- root/root 5131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ubt_3g6.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uc1_olc.sdf -rw-rw-r-- root/root 6904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uc1_pp9.sdf -rw-rw-r-- root/root 9817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uc1_z0p.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uc2_olc.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uc3_olc.sdf -rw-rw-r-- root/root 2623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ucc_zkw.sdf -rw-rw-r-- root/root 2613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ucd_m81.sdf -rw-rw-r-- root/root 2611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uce_mzs.sdf -rw-rw-r-- root/root 3749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uco_d41.sdf -rw-rw-r-- root/root 2323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ucr_jcf.sdf -rw-rw-r-- root/root 1980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ucs_9mj.sdf -rw-rw-r-- root/root 3200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ucs_iwh.sdf -rw-rw-r-- root/root 2672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uct_5u1.sdf -rw-rw-r-- root/root 1996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ucu_8hc.sdf -rw-rw-r-- root/root 2489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ucv_i6g.sdf -rw-rw-r-- root/root 1252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ud9_fqi.sdf -rw-rw-r-- root/root 1664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ud9_tys.sdf -rw-rw-r-- root/root 5149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uda_dex.sdf -rw-rw-r-- root/root 6496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4udb_cv7.sdf -rw-rw-r-- root/root 6496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4udd_cv7.sdf -rw-rw-r-- root/root 4635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4udw_n6l.sdf -rw-rw-r-- root/root 2003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ue7_mrz.sdf -rw-rw-r-- root/root 5646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uee_la9.sdf -rw-rw-r-- root/root 5850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uef_tje.sdf -rw-rw-r-- root/root 1586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ueh_ben.sdf -rw-rw-r-- root/root 6229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uez_lff.sdf -rw-rw-r-- root/root 3974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uf0_mmk.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufa_p6g.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufb_p6g.sdf -rw-rw-r-- root/root 6522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufd_s49.sdf -rw-rw-r-- root/root 6145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufe_3zd.sdf -rw-rw-r-- root/root 6140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uff_6v2.sdf -rw-rw-r-- root/root 6660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufg_d6j.sdf -rw-rw-r-- root/root 2093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufh_gif.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufh_pg4.sdf -rw-rw-r-- root/root 2011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufi_agk.sdf -rw-rw-r-- root/root 2021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufj_if7.sdf -rw-rw-r-- root/root 1835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufk_ldu.sdf -rw-rw-r-- root/root 2461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufl_dzx.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufm_dgj.sdf -rw-rw-r-- root/root 3087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufu_2zi.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufy_m3w.sdf -rw-rw-r-- root/root 3499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ufz_ia7.sdf -rw-rw-r-- root/root 5895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ug2_ngi.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ug5_h4b.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ug5_xfk.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ug6_h4b.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ug6_xfj.sdf -rw-rw-r-- root/root 4819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ug7_1ev.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ug7_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ug8_h4b.sdf -rw-rw-r-- root/root 5483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ug8_hw1.sdf -rw-rw-r-- root/root 5671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ug9_1ew.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uga_h4b.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uga_q05.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugb_h4b.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugb_qj7.sdf -rw-rw-r-- root/root 4430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugc_1q6.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugc_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugd_h4b.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugd_q14.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uge_h4b.sdf -rw-rw-r-- root/root 4443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uge_q15.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugf_h4b.sdf -rw-rw-r-- root/root 4797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugf_q16.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugg_h4b.sdf -rw-rw-r-- root/root 4885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugg_s5d.sdf -rw-rw-r-- root/root 4326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugh_4v4.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugh_h4b.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugi_sko.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugj_h4b.sdf -rw-rw-r-- root/root 4430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugj_q1t.sdf -rw-rw-r-- root/root 4065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugk_7s9.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugk_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugl_h4b.sdf -rw-rw-r-- root/root 4703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugl_s90.sdf -rw-rw-r-- root/root 4771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugm_1qe.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugm_h4b.sdf -rw-rw-r-- root/root 4006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugn_h49.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugn_h4b.sdf -rw-rw-r-- root/root 5728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugo_1qf.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugo_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugp_h4b.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugp_i5u.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugq_7ln.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugq_h4b.sdf -rw-rw-r-- root/root 6283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugr_6e5.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugr_h4b.sdf -rw-rw-r-- root/root 4959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugs_h36.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugs_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugt_h4b.sdf -rw-rw-r-- root/root 3663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugt_ugt.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugu_h4b.sdf -rw-rw-r-- root/root 5763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugu_pqw.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugw_h4b.sdf -rw-rw-r-- root/root 5483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugw_hw1.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugx_5h4.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugx_h4b.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugy_exi.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ugy_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uh2_h4b.sdf -rw-rw-r-- root/root 4618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uh2_s84.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uh3_h4b.sdf -rw-rw-r-- root/root 4336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uh3_s85.sdf -rw-rw-r-- root/root 4326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uh7_4v4.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uh7_h4b.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uh8_exi.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uh8_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uh9_h4b.sdf -rw-rw-r-- root/root 4336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uh9_s85.sdf -rw-rw-r-- root/root 5914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uhi_vfv.sdf -rw-rw-r-- root/root 3518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uhx_mte.sdf -rw-rw-r-- root/root 2834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ui3_06r.sdf -rw-rw-r-- root/root 4429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ui4_rjn.sdf -rw-rw-r-- root/root 3155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ui5_bj4.sdf -rw-rw-r-- root/root 3188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ui6_ecz.sdf -rw-rw-r-- root/root 2895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ui7_vt3.sdf -rw-rw-r-- root/root 2928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ui8_iy5.sdf -rw-rw-r-- root/root 6124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uia_fh9.sdf -rw-rw-r-- root/root 7118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uib_gwx.sdf -rw-rw-r-- root/root 5303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uit_n1d.sdf -rw-rw-r-- root/root 5102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uiu_tvu.sdf -rw-rw-r-- root/root 4794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uiv_xzb.sdf -rw-rw-r-- root/root 5054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uiw_h1b.sdf -rw-rw-r-- root/root 5102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uix_tvu.sdf -rw-rw-r-- root/root 4794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uiy_5v2.sdf -rw-rw-r-- root/root 5303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uiz_n1d.sdf -rw-rw-r-- root/root 3803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uj1_nvx.sdf -rw-rw-r-- root/root 3804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uj2_nvv.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uj3_gnp.sdf -rw-rw-r-- root/root 4086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uj9_s3n.sdf -rw-rw-r-- root/root 3523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uja_4l7.sdf -rw-rw-r-- root/root 3804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ujb_8bq.sdf -rw-rw-r-- root/root 3167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4um1_09p.sdf -rw-rw-r-- root/root 2154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ump_5qm.sdf -rw-rw-r-- root/root 5100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4umq_b5s.sdf -rw-rw-r-- root/root 3229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4umr_qbb.sdf -rw-rw-r-- root/root 5110 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4umt_47w.sdf -rw-rw-r-- root/root 4215 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4umu_0v0.sdf -rw-rw-r-- root/root 5132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4umx_vvs.sdf -rw-rw-r-- root/root 6420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4umz_xjo.sdf -rw-rw-r-- root/root 3914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4und_2yq.sdf -rw-rw-r-- root/root 3710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4unn_qzz.sdf -rw-rw-r-- root/root 2663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4unp_txw.sdf -rw-rw-r-- root/root 3000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4unq_h6d.sdf -rw-rw-r-- root/root 4372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4unr_qze.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uns_qz3.sdf -rw-rw-r-- root/root 5536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4upj_u04.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4upn_7ln.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4upn_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4upq_h4b.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4upq_i5u.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4upr_7ln.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4upr_h4b.sdf -rw-rw-r-- root/root 6283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ups_6e5.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ups_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4upt_h4b.sdf -rw-rw-r-- root/root 5763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4upt_pqw.sdf -rw-rw-r-- root/root 6670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uqh_25s.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uqr_h4b.sdf -rw-rw-r-- root/root 2576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uqr_nrg.sdf -rw-rw-r-- root/root 1669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uqs_ine.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ur9_oan.sdf -rw-rw-r-- root/root 1898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ura_lel.sdf -rw-rw-r-- root/root 4929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4urk_a82.sdf -rw-rw-r-- root/root 11138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4urm_xam.sdf -rw-rw-r-- root/root 7227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uro_nov.sdf -rw-rw-r-- root/root 2507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uru_6w2.sdf -rw-rw-r-- root/root 2562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4urv_umk.sdf -rw-rw-r-- root/root 3905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4urw_dxo.sdf -rw-rw-r-- root/root 1526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4urx_fk1.sdf -rw-rw-r-- root/root 2470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4urx_hxy.sdf -rw-rw-r-- root/root 1330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4us8_hbx.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4usa_hci.sdf -rw-rw-r-- root/root 5503 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4use_r09.sdf -rw-rw-r-- root/root 3532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4usf_6ui.sdf -rw-rw-r-- root/root 1574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4utr_gua.sdf -rw-rw-r-- root/root 3169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4utu_lry.sdf -rw-rw-r-- root/root 2139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4utv_fsl.sdf -rw-rw-r-- root/root 3031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4utw_rfw.sdf -rw-rw-r-- root/root 1314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4utx_3np.sdf -rw-rw-r-- root/root 1833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4utz_0l1.sdf -rw-rw-r-- root/root 12208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uu1_pcw.sdf -rw-rw-r-- root/root 8569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uu1_tg1.sdf -rw-rw-r-- root/root 1490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uu7_jo3.sdf -rw-rw-r-- root/root 1750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uu8_woc.sdf -rw-rw-r-- root/root 2932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uua_nx6.sdf -rw-rw-r-- root/root 2270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uub_su8.sdf -rw-rw-r-- root/root 4368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uuh_t40.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uui_pyr.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uv0_pge.sdf -rw-rw-r-- root/root 11059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uv8_d69.sdf -rw-rw-r-- root/root 10410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uv9_d70.sdf -rw-rw-r-- root/root 9984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uva_d73.sdf -rw-rw-r-- root/root 10163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvb_d51.sdf -rw-rw-r-- root/root 10799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvc_d52.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvd_hrw.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvd_nad.sdf -rw-rw-r-- root/root 2195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uve_ki5.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uve_nad.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvg_a0c.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvg_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvh_nad.sdf -rw-rw-r-- root/root 1969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvh_uud.sdf -rw-rw-r-- root/root 4112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvi_kxu.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvi_nad.sdf -rw-rw-r-- root/root 2804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvn_cdj.sdf -rw-rw-r-- root/root 3155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvo_5ww.sdf -rw-rw-r-- root/root 6920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvr_j5y.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvu_u1t.sdf -rw-rw-r-- root/root 2894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvv_w8l.sdf -rw-rw-r-- root/root 3144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvw_nyj.sdf -rw-rw-r-- root/root 2645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvx_h2w.sdf -rw-rw-r-- root/root 2982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uvy_sgw.sdf -rw-rw-r-- root/root 3222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uw1_92r.sdf -rw-rw-r-- root/root 7137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uw3_50g.sdf -rw-rw-r-- root/root 10899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uw4_4s0.sdf -rw-rw-r-- root/root 15418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uw6_vv7.sdf -rw-rw-r-- root/root 4200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uwb_jvt.sdf -rw-rw-r-- root/root 3769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uwc_4y0.sdf -rw-rw-r-- root/root 2621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uwd_un9.sdf -rw-rw-r-- root/root 4254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uwf_eut.sdf -rw-rw-r-- root/root 4717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uwg_rbq.sdf -rw-rw-r-- root/root 4846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uwh_jxm.sdf -rw-rw-r-- root/root 5340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uwi_xmq.sdf -rw-rw-r-- root/root 5445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uwj_7l5.sdf -rw-rw-r-- root/root 4762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uwk_ujb.sdf -rw-rw-r-- root/root 4811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uwl_7a5.sdf -rw-rw-r-- root/root 3162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ux4_e9l.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ux6_h4b.sdf -rw-rw-r-- root/root 3683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ux6_ywo.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ux9_anp.sdf -rw-rw-r-- root/root 3585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uxb_p34.sdf -rw-rw-r-- root/root 4514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uxl_5p8.sdf -rw-rw-r-- root/root 6026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uxq_0li.sdf -rw-rw-r-- root/root 8923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uxu_mlk.sdf -rw-rw-r-- root/root 2414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uy1_tjm.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uye_9f9.sdf -rw-rw-r-- root/root 4935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uyf_73b.sdf -rw-rw-r-- root/root 4935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uyg_73b.sdf -rw-rw-r-- root/root 6226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uyh_9s3.sdf -rw-rw-r-- root/root 5165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uyn_y3m.sdf -rw-rw-r-- root/root 5425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uzd_qmn.sdf -rw-rw-r-- root/root 3177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4uzh_jve.sdf -rw-rw-r-- root/root 6026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v01_0li.sdf -rw-rw-r-- root/root 6026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v04_0li.sdf -rw-rw-r-- root/root 6039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v05_66t.sdf -rw-rw-r-- root/root 4387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v0i_j82.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v0s_2hn.sdf -rw-rw-r-- root/root 5801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v24_gyr.sdf -rw-rw-r-- root/root 4313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v2o_clq.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v2v_oga.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v2w_oga.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v3v_h4b.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v3v_s8f.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v3w_e2z.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v3w_h4b.sdf -rw-rw-r-- root/root 4028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v3x_4e8.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v3x_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v3y_h4b.sdf -rw-rw-r-- root/root 4029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v3y_hlw.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v3z_9hl.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4v3z_h4b.sdf -rw-rw-r-- root/root 3203 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4vgc_srd.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w1o_3gj.sdf -rw-rw-r-- root/root 4439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w4s_b29.sdf -rw-rw-r-- root/root 4709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w4v_3h8.sdf -rw-rw-r-- root/root 4699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w4w_3hj.sdf -rw-rw-r-- root/root 4710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w4x_3hn.sdf -rw-rw-r-- root/root 4959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w4y_3hq.sdf -rw-rw-r-- root/root 2977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w5b_3h5.sdf -rw-rw-r-- root/root 2977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w5c_3h5.sdf -rw-rw-r-- root/root 3377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w5c_3h6.sdf -rw-rw-r-- root/root 1559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w5c_3h7.sdf -rw-rw-r-- root/root 3785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w5s_3j1.sdf -rw-rw-r-- root/root 6145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w63_htb.sdf -rw-rw-r-- root/root 5722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w6e_3j5.sdf -rw-rw-r-- root/root 4036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w7p_3j7.sdf -rw-rw-r-- root/root 3411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w8d_3ja.sdf -rw-rw-r-- root/root 4254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w8e_3jb.sdf -rw-rw-r-- root/root 13579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w93_3l9.sdf -rw-rw-r-- root/root 2272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w9n_tcl.sdf -rw-rw-r-- root/root 6439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w9o_3jq.sdf -rw-rw-r-- root/root 6439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w9p_3jr.sdf -rw-rw-r-- root/root 6251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w9q_3jp.sdf -rw-rw-r-- root/root 2562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w9s_3k1.sdf -rw-rw-r-- root/root 4023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w9w_ydj.sdf -rw-rw-r-- root/root 3974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w9x_3jw.sdf -rw-rw-r-- root/root 2209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4w9y_3k0.sdf -rw-rw-r-- root/root 4252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wa9_axi.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wae_atp.sdf -rw-rw-r-- root/root 5022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4waf_3k6.sdf -rw-rw-r-- root/root 3412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wag_3k7.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wbo_anw.sdf -rw-rw-r-- root/root 5033 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wcu_3kq.sdf -rw-rw-r-- root/root 2649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wdt_wdt.sdf -rw-rw-r-- root/root 2661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wdu_wdu.sdf -rw-rw-r-- root/root 3123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wdw_wdw.sdf -rw-rw-r-- root/root 3903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wdx_wdx.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4we1_3lq.sdf -rw-rw-r-- root/root 4437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wet_wef.sdf -rw-rw-r-- root/root 3856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wev_suz.sdf -rw-rw-r-- root/root 3246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wey_eg6.sdf -rw-rw-r-- root/root 2549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wf4_wf4.sdf -rw-rw-r-- root/root 2549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wf5_wf4.sdf -rw-rw-r-- root/root 2848 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wf6_407.sdf -rw-rw-r-- root/root 5441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wh5_3qb.sdf -rw-rw-r-- root/root 1358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wh7_8h8.sdf -rw-rw-r-- root/root 2348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wh9_3m8.sdf -rw-rw-r-- root/root 1524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4whq_3n9.sdf -rw-rw-r-- root/root 1265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4whr_3nj.sdf -rw-rw-r-- root/root 1338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4whs_3n8.sdf -rw-rw-r-- root/root 5987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4whu_3ot.sdf -rw-rw-r-- root/root 5987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4whw_3ot.sdf -rw-rw-r-- root/root 5337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4whz_3nl.sdf -rw-rw-r-- root/root 3823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wi1_3o6.sdf -rw-rw-r-- root/root 657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wiu_oxl.sdf -rw-rw-r-- root/root 4561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wiv_3p2.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wk7_3pq.sdf -rw-rw-r-- root/root 3557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wkb_tdi.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wkc_big.sdf -rw-rw-r-- root/root 3473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wke_3pu.sdf -rw-rw-r-- root/root 5150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wkh_cbs.sdf -rw-rw-r-- root/root 3816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wki_3pw.sdf -rw-rw-r-- root/root 3557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wkn_tdi.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wko_hce.sdf -rw-rw-r-- root/root 4787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wkp_3qa.sdf -rw-rw-r-- root/root 2778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wkv_3qk.sdf -rw-rw-r-- root/root 5778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wlb_3qq.sdf -rw-rw-r-- root/root 3295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wlj_ik2.sdf -rw-rw-r-- root/root 4902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wlk_3ql.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wmd_pge.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wmf_pg4.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wml_ppc.sdf -rw-rw-r-- root/root 7570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wmr_865.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wmz_tpf.sdf -rw-rw-r-- root/root 4963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wn1_3sj.sdf -rw-rw-r-- root/root 3302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wn3_3r3.sdf -rw-rw-r-- root/root 5442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wnk_453.sdf -rw-rw-r-- root/root 5642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wnm_3rt.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wno_3rf.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wnp_3rj.sdf -rw-rw-r-- root/root 3213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wns_3rl.sdf -rw-rw-r-- root/root 4556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wnt_ajn.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wnu_qdn.sdf -rw-rw-r-- root/root 4357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wnv_qi9.sdf -rw-rw-r-- root/root 3802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wo5_324.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4woe_adp.sdf -rw-rw-r-- root/root 1910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4woh_4np.sdf -rw-rw-r-- root/root 5514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wot_3sg.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wov_3sm.sdf -rw-rw-r-- root/root 5614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wp7_3sr.sdf -rw-rw-r-- root/root 1797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wpd_3sq.sdf -rw-rw-r-- root/root 5354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wpf_3sn.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wpl_ura.sdf -rw-rw-r-- root/root 5225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wpn_3st.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wpu_pep.sdf -rw-rw-r-- root/root 2266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wq2_3su.sdf -rw-rw-r-- root/root 2266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wq3_3su.sdf -rw-rw-r-- root/root 5437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wq6_3tq.sdf -rw-rw-r-- root/root 1798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wqj_36y.sdf -rw-rw-r-- root/root 5756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wqp_3sx.sdf -rw-rw-r-- root/root 2516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wr7_3tv.sdf -rw-rw-r-- root/root 3189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wr8_3tx.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wrb_3tw.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wre_ins.sdf -rw-rw-r-- root/root 1159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wrh_yy1.sdf -rw-rw-r-- root/root 3709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wrh_yy2.sdf -rw-rw-r-- root/root 4902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wrs_3u1.sdf -rw-rw-r-- root/root 1173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wrz_urf.sdf -rw-rw-r-- root/root 1338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ws2_6ua.sdf -rw-rw-r-- root/root 1387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ws4_5nu.sdf -rw-rw-r-- root/root 1340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ws6_wbu.sdf -rw-rw-r-- root/root 1173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ws7_5uc.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ws8_tul.sdf -rw-rw-r-- root/root 5191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wsq_ksa.sdf -rw-rw-r-- root/root 3552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wsy_3u5.sdf -rw-rw-r-- root/root 8221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wt2_3ud.sdf -rw-rw-r-- root/root 4320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wt6_3u6.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wta_udp.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wtc_cdp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wtd_adp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wte_gdp.sdf -rw-rw-r-- root/root 3861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wtf_5gs.sdf -rw-rw-r-- root/root 3776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wtg_6gs.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wti_gdp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wtj_adp.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wtk_cdp.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wtl_udp.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wtm_udp.sdf -rw-rw-r-- root/root 4738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wtu_3ut.sdf -rw-rw-r-- root/root 3935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wua_3ul.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wuc_anp.sdf -rw-rw-r-- root/root 6039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wun_66t.sdf -rw-rw-r-- root/root 2306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wup_3uf.sdf -rw-rw-r-- root/root 2966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wuq_3ug.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wuw_ins.sdf -rw-rw-r-- root/root 7670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wuy_3uj.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wuy_sah.sdf -rw-rw-r-- root/root 12116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wvd_ivm.sdf -rw-rw-r-- root/root 8767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wvl_3us.sdf -rw-rw-r-- root/root 4651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wvo_3uz.sdf -rw-rw-r-- root/root 13245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ww2_jls.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ww5_anp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ww7_amp.sdf -rw-rw-r-- root/root 2472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ww8_vd9.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ww9_adp.sdf -rw-rw-r-- root/root 4176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wwn_3vc.sdf -rw-rw-r-- root/root 4277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wwo_3vd.sdf -rw-rw-r-- root/root 4444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wwp_3ve.sdf -rw-rw-r-- root/root 3196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wxf_plg.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wxg_2bo.sdf -rw-rw-r-- root/root 6878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wxh_3vl.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wxh_sah.sdf -rw-rw-r-- root/root 6075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wxi_3vm.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wxl_bb2.sdf -rw-rw-r-- root/root 5274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wxr_3vz.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wxx_sah.sdf -rw-rw-r-- root/root 2291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wy0_r5p.sdf -rw-rw-r-- root/root 6231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wy3_3x5.sdf -rw-rw-r-- root/root 5025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wyo_3w2.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wyp_amp.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wyz_u3p.sdf -rw-rw-r-- root/root 4931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wz8_3w7.sdf -rw-rw-r-- root/root 1860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4wzc_1uc.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x0f_rol.sdf -rw-rw-r-- root/root 1716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x0m_3wa.sdf -rw-rw-r-- root/root 4185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x1f_3wf.sdf -rw-rw-r-- root/root 4185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x1g_3wf.sdf -rw-rw-r-- root/root 2313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x1g_3wg.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x1h_bng.sdf -rw-rw-r-- root/root 4897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x1k_loc.sdf -rw-rw-r-- root/root 1763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x1r_pl0.sdf -rw-rw-r-- root/root 4897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x1y_loc.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x21_3wh.sdf -rw-rw-r-- root/root 3557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x24_tdi.sdf -rw-rw-r-- root/root 2805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x2a_3wl.sdf -rw-rw-r-- root/root 2802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x2f_3wj.sdf -rw-rw-r-- root/root 2802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x2g_3wk.sdf -rw-rw-r-- root/root 3681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x2i_3x0.sdf -rw-rw-r-- root/root 2802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x2j_3wn.sdf -rw-rw-r-- root/root 2802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x2k_3wo.sdf -rw-rw-r-- root/root 1129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x2p_3py.sdf -rw-rw-r-- root/root 4151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x2u_tod.sdf -rw-rw-r-- root/root 1904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x36_cht.sdf -rw-rw-r-- root/root 5421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x3c_tnh.sdf -rw-rw-r-- root/root 4381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x3j_3wr.sdf -rw-rw-r-- root/root 8785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x3o_3y0.sdf -rw-rw-r-- root/root 3537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x3p_3lx.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x3p_cna.sdf -rw-rw-r-- root/root 8201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x3r_686.sdf -rw-rw-r-- root/root 4987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x3t_45e.sdf -rw-rw-r-- root/root 11572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x3u_svr.sdf -rw-rw-r-- root/root 4917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x4l_3xg.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x58_prp.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x59_prp.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x5b_prp.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x5d_be2.sdf -rw-rw-r-- root/root 1596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x5e_be2.sdf -rw-rw-r-- root/root 4662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x5p_3xj.sdf -rw-rw-r-- root/root 4608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x5q_3xn.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x5r_3xo.sdf -rw-rw-r-- root/root 6146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x5y_3xw.sdf -rw-rw-r-- root/root 4977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x5z_3xy.sdf -rw-rw-r-- root/root 4826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x60_3xv.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x6d_ola.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x6d_pam.sdf -rw-rw-r-- root/root 7757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x6e_42h.sdf -rw-rw-r-- root/root 13134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x6f_3xu.sdf -rw-rw-r-- root/root 3994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x6h_3xt.sdf -rw-rw-r-- root/root 3828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x6i_3y1.sdf -rw-rw-r-- root/root 5858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x6m_3y3.sdf -rw-rw-r-- root/root 5904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x6n_3y5.sdf -rw-rw-r-- root/root 6238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x6o_3y4.sdf -rw-rw-r-- root/root 5811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x6p_3yu.sdf -rw-rw-r-- root/root 5752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x6t_3y6.sdf -rw-rw-r-- root/root 6169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x6x_s74.sdf -rw-rw-r-- root/root 4458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x6y_s94.sdf -rw-rw-r-- root/root 6332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x7h_3z2.sdf -rw-rw-r-- root/root 3967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x7i_3ys.sdf -rw-rw-r-- root/root 5233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x7j_3z1.sdf -rw-rw-r-- root/root 6323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x7k_3z3.sdf -rw-rw-r-- root/root 6136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x7l_3z4.sdf -rw-rw-r-- root/root 6221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x7n_3z5.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x7q_3yr.sdf -rw-rw-r-- root/root 7460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x7u_zm3.sdf -rw-rw-r-- root/root 9761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x7v_miv.sdf -rw-rw-r-- root/root 9261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x7w_mvi.sdf -rw-rw-r-- root/root 12248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x7x_3zp.sdf -rw-rw-r-- root/root 7460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x7z_zm3.sdf -rw-rw-r-- root/root 9261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x81_mvi.sdf -rw-rw-r-- root/root 5617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x86_cps.sdf -rw-rw-r-- root/root 5922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x8c_3yz.sdf -rw-rw-r-- root/root 2378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x8d_avi.sdf -rw-rw-r-- root/root 2748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x8e_avj.sdf -rw-rw-r-- root/root 5461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x8g_3z0.sdf -rw-rw-r-- root/root 1599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x8s_3z7.sdf -rw-rw-r-- root/root 1881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x8t_3z8.sdf -rw-rw-r-- root/root 1809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x8u_3zb.sdf -rw-rw-r-- root/root 7867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4x8v_3z9.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xa5_8dg.sdf -rw-rw-r-- root/root 4603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xad_3zw.sdf -rw-rw-r-- root/root 2218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xaq_40f.sdf -rw-rw-r-- root/root 2218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xar_40f.sdf -rw-rw-r-- root/root 2583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xas_40h.sdf -rw-rw-r-- root/root 8363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xb5_45d.sdf -rw-rw-r-- root/root 3627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xbj_in5.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xbr_atp.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xc0_acp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xcj_adp.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xcl_ags.sdf -rw-rw-r-- root/root 5617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xcs_cps.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xd2_nai.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xd8_anp.sdf -rw-rw-r-- root/root 3000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xdg_3zu.sdf -rw-rw-r-- root/root 3062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xdh_3zv.sdf -rw-rw-r-- root/root 1539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xdl_40d.sdf -rw-rw-r-- root/root 7159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xdm_gdm.sdf -rw-rw-r-- root/root 4547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xe0_40l.sdf -rw-rw-r-- root/root 4645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xe6_06u.sdf -rw-rw-r-- root/root 2929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xew_40n.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xew_plp.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xey_1n1.sdf -rw-rw-r-- root/root 1372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xfp_aza.sdf -rw-rw-r-- root/root 5638 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xg3_x3g.sdf -rw-rw-r-- root/root 5710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xg4_x4g.sdf -rw-rw-r-- root/root 4649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xg6_x6g.sdf -rw-rw-r-- root/root 4684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xg7_x7g.sdf -rw-rw-r-- root/root 4695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xg8_x8g.sdf -rw-rw-r-- root/root 5038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xg9_x9g.sdf -rw-rw-r-- root/root 3167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xh6_hul.sdf -rw-rw-r-- root/root 1574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xhb_17y.sdf -rw-rw-r-- root/root 5558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xhd_40u.sdf -rw-rw-r-- root/root 4066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xhk_3yr.sdf -rw-rw-r-- root/root 2776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xhl_cki.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xia_sor.sdf -rw-rw-r-- root/root 6299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xii_40v.sdf -rw-rw-r-- root/root 4283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xiq_40y.sdf -rw-rw-r-- root/root 5073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xir_40x.sdf -rw-rw-r-- root/root 5284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xit_40z.sdf -rw-rw-r-- root/root 4857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xj0_41b.sdf -rw-rw-r-- root/root 2861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xjj_41d.sdf -rw-rw-r-- root/root 3792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xjl_41f.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xjl_plp.sdf -rw-rw-r-- root/root 4996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xjm_41e.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xjm_plp.sdf -rw-rw-r-- root/root 3880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xjo_41o.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xjo_plp.sdf -rw-rw-r-- root/root 3794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xjw_opx.sdf -rw-rw-r-- root/root 6196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xkb_de9.sdf -rw-rw-r-- root/root 4489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xkx_43k.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xli_1n1.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xlv_acp.sdf -rw-rw-r-- root/root 5813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xly_ecp.sdf -rw-rw-r-- root/root 4406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xm6_41r.sdf -rw-rw-r-- root/root 4497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xm7_41s.sdf -rw-rw-r-- root/root 4751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xm8_41t.sdf -rw-rw-r-- root/root 3794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xma_opx.sdf -rw-rw-r-- root/root 6397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xmb_41p.sdf -rw-rw-r-- root/root 4446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xmo_46g.sdf -rw-rw-r-- root/root 1386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xmt_dpp.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xmt_mli.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xmx_bes.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xmx_mli.sdf -rw-rw-r-- root/root 1645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xmz_dab.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xn5_mli.sdf -rw-rw-r-- root/root 1386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xn7_dpp.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xn8_mli.sdf -rw-rw-r-- root/root 1117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xn9_bal.sdf -rw-rw-r-- root/root 2422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xna_b3k.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xna_mli.sdf -rw-rw-r-- root/root 2377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xnb_3fb.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xnb_mli.sdf -rw-rw-r-- root/root 2755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xnd_ht7.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xnd_mli.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xnh_i6p.sdf -rw-rw-r-- root/root 4947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xnv_bur.sdf -rw-rw-r-- root/root 4335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xnw_2id.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xo3_mli.sdf -rw-rw-r-- root/root 4414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xo6_5sd.sdf -rw-rw-r-- root/root 4579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xo6_aox.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xo7_asd.sdf -rw-rw-r-- root/root 4015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xoc_kgm.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xoi_gtp.sdf -rw-rw-r-- root/root 1537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xoy_dx4.sdf -rw-rw-r-- root/root 1548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xp0_42a.sdf -rw-rw-r-- root/root 2068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xp2_tt4.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xq8_dtp.sdf -rw-rw-r-- root/root 2235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xqg_1ps.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xrh_ttp.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xrj_620.sdf -rw-rw-r-- root/root 3952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xry_si5.sdf -rw-rw-r-- root/root 3692 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xrz_si6.sdf -rw-rw-r-- root/root 5291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xs2_42p.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xsh_gsp.sdf -rw-rw-r-- root/root 2351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xsm_tlz.sdf -rw-rw-r-- root/root 4965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xt9_43v.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xua_43c.sdf -rw-rw-r-- root/root 4158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xub_43d.sdf -rw-rw-r-- root/root 3056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xuc_43g.sdf -rw-rw-r-- root/root 3419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xud_43h.sdf -rw-rw-r-- root/root 3233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xue_43j.sdf -rw-rw-r-- root/root 3764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xuh_sfi.sdf -rw-rw-r-- root/root 7297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xui_2vc.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xus_ttp.sdf -rw-rw-r-- root/root 5341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xv1_904.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xv2_p06.sdf -rw-rw-r-- root/root 5098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xv3_p02.sdf -rw-rw-r-- root/root 4233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xv9_1oo.sdf -rw-rw-r-- root/root 4161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xvd_wdv.sdf -rw-rw-r-- root/root 5354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xve_wds.sdf -rw-rw-r-- root/root 6320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xw2_sim.sdf -rw-rw-r-- root/root 6815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xwa_43n.sdf -rw-rw-r-- root/root 2207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xwk_4c8.sdf -rw-rw-r-- root/root 3379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xwy_43o.sdf -rw-rw-r-- root/root 5153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xx3_70x.sdf -rw-rw-r-- root/root 5520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xx4_70y.sdf -rw-rw-r-- root/root 3406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xx5_43r.sdf -rw-rw-r-- root/root 4122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xx9_rf4.sdf -rw-rw-r-- root/root 5046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xy2_490.sdf -rw-rw-r-- root/root 2708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xy8_43u.sdf -rw-rw-r-- root/root 5049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xyf_44x.sdf -rw-rw-r-- root/root 3129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xyx_43z.sdf -rw-rw-r-- root/root 3323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xz4_456.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xz9_g3p.sdf -rw-rw-r-- root/root 3107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xzh_48i.sdf -rw-rw-r-- root/root 3270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xzi_f49.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xzj_nad.sdf -rw-rw-r-- root/root 2074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xzk_ag2.sdf -rw-rw-r-- root/root 3270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4xzl_f49.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y03_sal.sdf -rw-rw-r-- root/root 3589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y0i_psz.sdf -rw-rw-r-- root/root 3851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y0p_te4.sdf -rw-rw-r-- root/root 4305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y0q_px9.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y0x_adp.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y12_ags.sdf -rw-rw-r-- root/root 3301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y13_480.sdf -rw-rw-r-- root/root 3764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y14_c0a.sdf -rw-rw-r-- root/root 2733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y15_482.sdf -rw-rw-r-- root/root 3257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y17_lae.sdf -rw-rw-r-- root/root 7378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y20_slt.sdf -rw-rw-r-- root/root 6855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y24_td2.sdf -rw-rw-r-- root/root 4085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y29_cti.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y2a_1fs.sdf -rw-rw-r-- root/root 3659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y2b_epk.sdf -rw-rw-r-- root/root 3005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y2j_49g.sdf -rw-rw-r-- root/root 2671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y2p_3c5.sdf -rw-rw-r-- root/root 2590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y2q_49n.sdf -rw-rw-r-- root/root 2402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y2r_49o.sdf -rw-rw-r-- root/root 2175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y2s_49p.sdf -rw-rw-r-- root/root 3276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y2t_49q.sdf -rw-rw-r-- root/root 3442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y2u_49r.sdf -rw-rw-r-- root/root 2059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y2v_4a5.sdf -rw-rw-r-- root/root 4331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y2x_4a0.sdf -rw-rw-r-- root/root 3016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y2y_49z.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y32_49f.sdf -rw-rw-r-- root/root 3794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y34_45z.sdf -rw-rw-r-- root/root 1936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y36_45l.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y36_pge.sdf -rw-rw-r-- root/root 1450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y37_45j.sdf -rw-rw-r-- root/root 2581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y39_45m.sdf -rw-rw-r-- root/root 3859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y3a_45o.sdf -rw-rw-r-- root/root 3011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y3d_45n.sdf -rw-rw-r-- root/root 2115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y3f_78b.sdf -rw-rw-r-- root/root 2195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y3g_463.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y3m_45y.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y3m_pge.sdf -rw-rw-r-- root/root 2485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y3n_45v.sdf -rw-rw-r-- root/root 2446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y3p_46s.sdf -rw-rw-r-- root/root 2029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y3s_46l.sdf -rw-rw-r-- root/root 3059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y3t_46h.sdf -rw-rw-r-- root/root 3059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y3t_46j.sdf -rw-rw-r-- root/root 2859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y3w_46q.sdf -rw-rw-r-- root/root 2135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y3x_46p.sdf -rw-rw-r-- root/root 2751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y41_46o.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y43_46t.sdf -rw-rw-r-- root/root 2011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y44_46y.sdf -rw-rw-r-- root/root 5601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y46_4f2.sdf -rw-rw-r-- root/root 3288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y47_479.sdf -rw-rw-r-- root/root 2019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y4a_47g.sdf -rw-rw-r-- root/root 1868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y4b_47h.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y4b_pge.sdf -rw-rw-r-- root/root 2893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y4c_47k.sdf -rw-rw-r-- root/root 2236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y4d_cff.sdf -rw-rw-r-- root/root 1707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y4e_46r.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y4e_pge.sdf -rw-rw-r-- root/root 2187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y4g_ggb.sdf -rw-rw-r-- root/root 2127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y4j_lnr.sdf -rw-rw-r-- root/root 2219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y4t_46x.sdf -rw-rw-r-- root/root 1956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y4u_46v.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y4u_pge.sdf -rw-rw-r-- root/root 2000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y4w_46w.sdf -rw-rw-r-- root/root 2782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y4x_47q.sdf -rw-rw-r-- root/root 2371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y50_47s.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y50_pge.sdf -rw-rw-r-- root/root 1770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y51_47a.sdf -rw-rw-r-- root/root 2189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y53_47b.sdf -rw-rw-r-- root/root 3236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y58_47l.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y58_pg4.sdf -rw-rw-r-- root/root 2640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y59_t21.sdf -rw-rw-r-- root/root 1603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y5a_47m.sdf -rw-rw-r-- root/root 3458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y5b_47p.sdf -rw-rw-r-- root/root 2582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y5c_47v.sdf -rw-rw-r-- root/root 2891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y5d_mt6.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y5d_p6g.sdf -rw-rw-r-- root/root 3236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y5e_47t.sdf -rw-rw-r-- root/root 3101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y5g_47u.sdf -rw-rw-r-- root/root 5234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y5h_519.sdf -rw-rw-r-- root/root 1935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y5k_489.sdf -rw-rw-r-- root/root 3433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y5m_47y.sdf -rw-rw-r-- root/root 3859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y5n_487.sdf -rw-rw-r-- root/root 3163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y5p_483.sdf -rw-rw-r-- root/root 5044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y62_48e.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y62_bhe.sdf -rw-rw-r-- root/root 3764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y63_48o.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y63_bhe.sdf -rw-rw-r-- root/root 3653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y64_48c.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y64_bhe.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y67_rc5.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y6d_48u.sdf -rw-rw-r-- root/root 8859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y6m_48q.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y6p_r77.sdf -rw-rw-r-- root/root 8955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y6q_omr.sdf -rw-rw-r-- root/root 3097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y6r_rf7.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y6s_48s.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y6u_3pg.sdf -rw-rw-r-- root/root 5478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y6u_upg.sdf -rw-rw-r-- root/root 5553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y71_48w.sdf -rw-rw-r-- root/root 3461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y72_lz9.sdf -rw-rw-r-- root/root 4663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y73_xpy.sdf -rw-rw-r-- root/root 4830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y79_4o6.sdf -rw-rw-r-- root/root 5374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y7a_987.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y7f_48x.sdf -rw-rw-r-- root/root 5478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y7f_upg.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y7g_g3p.sdf -rw-rw-r-- root/root 5478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y7g_upg.sdf -rw-rw-r-- root/root 4002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y7u_491.sdf -rw-rw-r-- root/root 3179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y83_49b.sdf -rw-rw-r-- root/root 3370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y85_499.sdf -rw-rw-r-- root/root 4127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y86_49d.sdf -rw-rw-r-- root/root 4127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y86_49e.sdf -rw-rw-r-- root/root 3875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y8d_49j.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y8w_str.sdf -rw-rw-r-- root/root 6071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y8x_4gr.sdf -rw-rw-r-- root/root 6507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y8y_4d5.sdf -rw-rw-r-- root/root 6790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y8z_4ce.sdf -rw-rw-r-- root/root 7244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y93_746.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y94_ihp.sdf -rw-rw-r-- root/root 7244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y95_746.sdf -rw-rw-r-- root/root 5090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y9b_mks.sdf -rw-rw-r-- root/root 4830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y9e_mkt.sdf -rw-rw-r-- root/root 5103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4y9g_mku.sdf -rw-rw-r-- root/root 8241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ya8_49w.sdf -rw-rw-r-- root/root 2707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yab_4cn.sdf -rw-rw-r-- root/root 4217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yad_4a7.sdf -rw-rw-r-- root/root 3780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yat_4a8.sdf -rw-rw-r-- root/root 4783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yax_4ae.sdf -rw-rw-r-- root/root 5383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yay_zd7.sdf -rw-rw-r-- root/root 2219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yb4_48y.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yb6_amp.sdf -rw-rw-r-- root/root 6656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ybj_4a9.sdf -rw-rw-r-- root/root 6096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ybk_4b7.sdf -rw-rw-r-- root/root 6400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ybm_4bj.sdf -rw-rw-r-- root/root 5823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ybs_4bk.sdf -rw-rw-r-- root/root 5764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ybt_4bv.sdf -rw-rw-r-- root/root 2173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yc0_5of.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yc7_gnp.sdf -rw-rw-r-- root/root 6096 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yc8_4b7.sdf -rw-rw-r-- root/root 7842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yc9_4c1.sdf -rw-rw-r-- root/root 8449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ycm_7bs.sdf -rw-rw-r-- root/root 6312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ycn_7bl.sdf -rw-rw-r-- root/root 3732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ycu_krs.sdf -rw-rw-r-- root/root 3732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ycw_krs.sdf -rw-rw-r-- root/root 2500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ycy_4ao.sdf -rw-rw-r-- root/root 4633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yd0_4ew.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yd3_1pe.sdf -rw-rw-r-- root/root 3460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yd3_4aq.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yd4_pg4.sdf -rw-rw-r-- root/root 2065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yd5_4av.sdf -rw-rw-r-- root/root 5139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yde_4c7.sdf -rw-rw-r-- root/root 6793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ydf_4b1.sdf -rw-rw-r-- root/root 6722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ydg_g3g.sdf -rw-rw-r-- root/root 2752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ydm_4aj.sdf -rw-rw-r-- root/root 3036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ydn_2wn.sdf -rw-rw-r-- root/root 15102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yef_4cq.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yek_thm.sdf -rw-rw-r-- root/root 4334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yff_4cv.sdf -rw-rw-r-- root/root 3082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yfi_4cw.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yfu_ttp.sdf -rw-rw-r-- root/root 4497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yh3_y80.sdf -rw-rw-r-- root/root 3702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yh4_y81.sdf -rw-rw-r-- root/root 3967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yhj_an2.sdf -rw-rw-r-- root/root 4314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yht_4ef.sdf -rw-rw-r-- root/root 3772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yia_imn.sdf -rw-rw-r-- root/root 4879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yih_2o2.sdf -rw-rw-r-- root/root 4879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yik_2o2.sdf -rw-rw-r-- root/root 2160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yil_4d3.sdf -rw-rw-r-- root/root 1856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yiw_ncd.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yj2_4ed.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yjd_fad.sdf -rw-rw-r-- root/root 1834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yjf_98b.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yjf_fad.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yjg_4dd.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yjg_fad.sdf -rw-rw-r-- root/root 2199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yjh_96b.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yjh_fad.sdf -rw-rw-r-- root/root 4545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yjo_4df.sdf -rw-rw-r-- root/root 4629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yjp_4dl.sdf -rw-rw-r-- root/root 5149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yjq_4dk.sdf -rw-rw-r-- root/root 4878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yjr_4dj.sdf -rw-rw-r-- root/root 4880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yjs_4dn.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yjt_4dq.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yju_4do.sdf -rw-rw-r-- root/root 5296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yjv_4dt.sdf -rw-rw-r-- root/root 2304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yk0_98.sdf -rw-rw-r-- root/root 6364 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yk5_4dv.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yk5_gsh.sdf -rw-rw-r-- root/root 2293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yka_tyc.sdf -rw-rw-r-- root/root 4335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ykt_4eq.sdf -rw-rw-r-- root/root 3673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yl0_4dz.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yl0_gsh.sdf -rw-rw-r-- root/root 5527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yl1_4u8.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yl1_gsh.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yl3_4u9.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yl3_gsh.sdf -rw-rw-r-- root/root 2827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ylj_4e1.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ylj_pg4.sdf -rw-rw-r-- root/root 2857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ylk_4e2.sdf -rw-rw-r-- root/root 2855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yll_4e3.sdf -rw-rw-r-- root/root 4688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ylu_r30.sdf -rw-rw-r-- root/root 3979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ylw_52y.sdf -rw-rw-r-- root/root 2861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yma_4e5.sdf -rw-rw-r-- root/root 3544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ymb_4e7.sdf -rw-rw-r-- root/root 3703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ymj_4ej.sdf -rw-rw-r-- root/root 3557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yml_4f0.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ymn_0kx.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ymo_0kx.sdf -rw-rw-r-- root/root 6270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ymq_zbd.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ymz_13p.sdf -rw-rw-r-- root/root 4308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yn4_1fz.sdf -rw-rw-r-- root/root 4040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ynb_4eh.sdf -rw-rw-r-- root/root 2149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ync_4eg.sdf -rw-rw-r-- root/root 6936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ynd_4gq.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ynd_sam.sdf -rw-rw-r-- root/root 4161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yne_4ek.sdf -rw-rw-r-- root/root 7281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ynk_yw2.sdf -rw-rw-r-- root/root 1529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yo4_4ft.sdf -rw-rw-r-- root/root 3543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yo6_4gd.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yo8_4ez.sdf -rw-rw-r-- root/root 5833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yog_4f5.sdf -rw-rw-r-- root/root 4817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yoi_4f4.sdf -rw-rw-r-- root/root 5077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yoj_rfm.sdf -rw-rw-r-- root/root 6290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yp1_2ba.sdf -rw-rw-r-- root/root 1421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yp2_nca.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yp3_8og.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yp3_dcp.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yp6_nap.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yp7_nap.sdf -rw-rw-r-- root/root 6025 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yp8_4gf.sdf -rw-rw-r-- root/root 1235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ypd_dkg.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yps_4f6.sdf -rw-rw-r-- root/root 2767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ypw_4fd.sdf -rw-rw-r-- root/root 1594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ypx_4fg.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ypy_4f9.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ypz_4fl.sdf -rw-rw-r-- root/root 2424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yq0_4fm.sdf -rw-rw-r-- root/root 5687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yq1_4fn.sdf -rw-rw-r-- root/root 5437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yq2_efy.sdf -rw-rw-r-- root/root 4647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yq3_4g1.sdf -rw-rw-r-- root/root 2852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yq4_4g3.sdf -rw-rw-r-- root/root 3455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yq5_4g0.sdf -rw-rw-r-- root/root 3121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yq6_4fx.sdf -rw-rw-r-- root/root 3464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yq7_4g4.sdf -rw-rw-r-- root/root 2487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yq8_4fv.sdf -rw-rw-r-- root/root 2737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yq9_4go.sdf -rw-rw-r-- root/root 2997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqa_4gn.sdf -rw-rw-r-- root/root 2852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqb_4gm.sdf -rw-rw-r-- root/root 2839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqc_efw.sdf -rw-rw-r-- root/root 5319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqd_4gz.sdf -rw-rw-r-- root/root 2922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqg_4gy.sdf -rw-rw-r-- root/root 3602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqh_4f7.sdf -rw-rw-r-- root/root 3393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqi_4gx.sdf -rw-rw-r-- root/root 2839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqj_4gt.sdf -rw-rw-r-- root/root 2570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqk_4gs.sdf -rw-rw-r-- root/root 3250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yql_4h4.sdf -rw-rw-r-- root/root 3193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqn_4h3.sdf -rw-rw-r-- root/root 3702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqo_4h1.sdf -rw-rw-r-- root/root 3925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqp_4h6.sdf -rw-rw-r-- root/root 4258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqq_4h7.sdf -rw-rw-r-- root/root 2570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqr_4hq.sdf -rw-rw-r-- root/root 2424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqs_4h9.sdf -rw-rw-r-- root/root 2992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqt_4h8.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yqw_dcp.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yr0_8og.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yr0_dcp.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yr2_dtp.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yr3_dcp.sdf -rw-rw-r-- root/root 2065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yr7_a1b.sdf -rw-rw-r-- root/root 2159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yrz_a2b.sdf -rw-rw-r-- root/root 3324 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ys1_4g7.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ys7_4gk.sdf -rw-rw-r-- root/root 5990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yt6_4jy.sdf -rw-rw-r-- root/root 6355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yt7_4k1.sdf -rw-rw-r-- root/root 3878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ytc_4hw.sdf -rw-rw-r-- root/root 3798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ytf_4hz.sdf -rw-rw-r-- root/root 4058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yth_467.sdf -rw-rw-r-- root/root 4298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yti_vjk.sdf -rw-rw-r-- root/root 2092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ytq_tgd.sdf -rw-rw-r-- root/root 2092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yts_tgs.sdf -rw-rw-r-- root/root 2092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ytt_pud.sdf -rw-rw-r-- root/root 1481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ytu_ler.sdf -rw-rw-r-- root/root 2710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yu2_4h5.sdf -rw-rw-r-- root/root 1874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yu7_dhc.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yu7_pe4.sdf -rw-rw-r-- root/root 6273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yur_4j7.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yv5_1pe.sdf -rw-rw-r-- root/root 5134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yv5_pe4.sdf -rw-rw-r-- root/root 11572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yv5_svr.sdf -rw-rw-r-- root/root 2907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yvc_4kh.sdf -rw-rw-r-- root/root 3510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yve_4kk.sdf -rw-rw-r-- root/root 6262 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yvf_xfa.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yvg_sam.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yvi_sfg.sdf -rw-rw-r-- root/root 5530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yvp_gbm.sdf -rw-rw-r-- root/root 5530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yvv_gbm.sdf -rw-rw-r-- root/root 6121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yvx_gmr.sdf -rw-rw-r-- root/root 6213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yw6_g0p.sdf -rw-rw-r-- root/root 13345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yw7_4j0.sdf -rw-rw-r-- root/root 1432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yw8_1wd.sdf -rw-rw-r-- root/root 1432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yw9_1wd.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yw9_gtp.sdf -rw-rw-r-- root/root 12305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ywa_4j9.sdf -rw-rw-r-- root/root 797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ywb_oxd.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ywd_ntm.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yyl_4kn.sdf -rw-rw-r-- root/root 2685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yyy_uri.sdf -rw-rw-r-- root/root 4471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yyz_4jx.sdf -rw-rw-r-- root/root 3490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yz7_9ar.sdf -rw-rw-r-- root/root 5344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yz9_4k7.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yzc_stu.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yzd_adp.sdf -rw-rw-r-- root/root 7248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yzm_4k4.sdf -rw-rw-r-- root/root 4871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yzn_4k5.sdf -rw-rw-r-- root/root 4303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4yzu_4k6.sdf -rw-rw-r-- root/root 1903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z02_4k8.sdf -rw-rw-r-- root/root 4763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z0k_4ln.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z17_pep.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z1d_pep.sdf -rw-rw-r-- root/root 3610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z1e_df5.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z1f_h71.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z1g_94m.sdf -rw-rw-r-- root/root 7374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z1h_4kp.sdf -rw-rw-r-- root/root 3680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z1k_4kb.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z1n_4kd.sdf -rw-rw-r-- root/root 4701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z1q_558.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z1v_oga.sdf -rw-rw-r-- root/root 4867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z22_4kg.sdf -rw-rw-r-- root/root 5704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z2b_4lc.sdf -rw-rw-r-- root/root 9839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z2g_m6v.sdf -rw-rw-r-- root/root 9319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z2h_m6a.sdf -rw-rw-r-- root/root 9579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z2i_m6b.sdf -rw-rw-r-- root/root 10099 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z2j_m6g.sdf -rw-rw-r-- root/root 10619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z2k_m6e.sdf -rw-rw-r-- root/root 8952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z2l_m6f.sdf -rw-rw-r-- root/root 3112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z33_ip2.sdf -rw-rw-r-- root/root 6586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z34_on7.sdf -rw-rw-r-- root/root 7029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z35_on9.sdf -rw-rw-r-- root/root 6526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z36_on3.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z3d_gsh.sdf -rw-rw-r-- root/root 2090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z3k_4kl.sdf -rw-rw-r-- root/root 3535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z3v_4l6.sdf -rw-rw-r-- root/root 7221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z55_4lo.sdf -rw-rw-r-- root/root 2822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z65_0x9.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z69_dif.sdf -rw-rw-r-- root/root 4151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z69_f15.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z69_plm.sdf -rw-rw-r-- root/root 3486 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z6h_4l2.sdf -rw-rw-r-- root/root 5894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z6i_4l3.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z7h_4l5.sdf -rw-rw-r-- root/root 5188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z7m_4l9.sdf -rw-rw-r-- root/root 3818 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z8d_4lb.sdf -rw-rw-r-- root/root 4958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z93_4ld.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z9a_pms.sdf -rw-rw-r-- root/root 1858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z9b_b85.sdf -rw-rw-r-- root/root 6245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z9l_880.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4z9l_anp.sdf -rw-rw-r-- root/root 1410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4za0_pah.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4za4_4lu.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4za5_4lu.sdf -rw-rw-r-- root/root 5893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4za5_fzz.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4za7_4lu.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4za7_4lv.sdf -rw-rw-r-- root/root 5893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4za7_fzz.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4za8_4lu.sdf -rw-rw-r-- root/root 1830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4za8_f5c.sdf -rw-rw-r-- root/root 5893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4za8_fzz.sdf -rw-rw-r-- root/root 7416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4za9_4mj.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zaa_4lu.sdf -rw-rw-r-- root/root 1940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zaa_4m4.sdf -rw-rw-r-- root/root 5893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zaa_fzz.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zab_4lu.sdf -rw-rw-r-- root/root 1786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zab_4lw.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zac_4lu.sdf -rw-rw-r-- root/root 5233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zae_4m1.sdf -rw-rw-r-- root/root 1926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zaf_4lr.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zaf_fmn.sdf -rw-rw-r-- root/root 1926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zag_4lr.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zag_fmn.sdf -rw-rw-r-- root/root 1926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zal_4lr.sdf -rw-rw-r-- root/root 4922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zal_fnr.sdf -rw-rw-r-- root/root 1926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zan_4lr.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zan_fmn.sdf -rw-rw-r-- root/root 6323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zau_yy3.sdf -rw-rw-r-- root/root 6058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zav_4ls.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zax_4lu.sdf -rw-rw-r-- root/root 6058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zay_4ls.sdf -rw-rw-r-- root/root 6058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zaz_4ls.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zbc_fru.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zbc_glc.sdf -rw-rw-r-- root/root 4961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zbf_4m7.sdf -rw-rw-r-- root/root 4773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zbi_4m6.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zbr_mli.sdf -rw-rw-r-- root/root 2849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zbr_nps.sdf -rw-rw-r-- root/root 1878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zcw_4ng.sdf -rw-rw-r-- root/root 7924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zdy_1yn.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zdz_tpf.sdf -rw-rw-r-- root/root 3615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ze0_vor.sdf -rw-rw-r-- root/root 8443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ze1_x2n.sdf -rw-rw-r-- root/root 7924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ze2_1yn.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ze3_tpf.sdf -rw-rw-r-- root/root 3003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zea_imi.sdf -rw-rw-r-- root/root 6361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zeg_052.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zf6_1pe.sdf -rw-rw-r-- root/root 2850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zf8_myt.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zfa_1pe.sdf -rw-rw-r-- root/root 3914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zfc_gcz.sdf -rw-rw-r-- root/root 5072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zfi_4nj.sdf -rw-rw-r-- root/root 5425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zfl_4nk.sdf -rw-rw-r-- root/root 6857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zfx_eb4.sdf -rw-rw-r-- root/root 183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zfx_th.sdf -rw-rw-r-- root/root 4347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zg6_4ny.sdf -rw-rw-r-- root/root 5348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zg7_4o0.sdf -rw-rw-r-- root/root 5329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zg7_nkn.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zg9_4o2.sdf -rw-rw-r-- root/root 3890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zga_4o3.sdf -rw-rw-r-- root/root 4786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zga_acd.sdf -rw-rw-r-- root/root 4729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zgk_4nx.sdf -rw-rw-r-- root/root 5824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zh8_4o4.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zha_4o5.sdf -rw-rw-r-- root/root 6270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zhc_tc2.sdf -rw-rw-r-- root/root 183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zhc_th.sdf -rw-rw-r-- root/root 3036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zhd_4oz.sdf -rw-rw-r-- root/root 184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zhd_4pu.sdf -rw-rw-r-- root/root 8345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zhf_4ol.sdf -rw-rw-r-- root/root 184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zhf_zcm.sdf -rw-rw-r-- root/root 8345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zhg_4ol.sdf -rw-rw-r-- root/root 183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zhg_am.sdf -rw-rw-r-- root/root 8345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zhh_4ol.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zhk_a8v.sdf -rw-rw-r-- root/root 5941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zhx_4o7.sdf -rw-rw-r-- root/root 3566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zhx_c1v.sdf -rw-rw-r-- root/root 2835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zhz_4p8.sdf -rw-rw-r-- root/root 2798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zi0_4p9.sdf -rw-rw-r-- root/root 3866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zi1_kb0.sdf -rw-rw-r-- root/root 2793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zij_sfq.sdf -rw-rw-r-- root/root 4715 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zim_4ok.sdf -rw-rw-r-- root/root 5041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zj8_suv.sdf -rw-rw-r-- root/root 4051 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zjb_pns.sdf -rw-rw-r-- root/root 4882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zjc_4ot.sdf -rw-rw-r-- root/root 4612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zjr_4p3.sdf -rw-rw-r-- root/root 2957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zjt_4p6.sdf -rw-rw-r-- root/root 4601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zjw_4p1.sdf -rw-rw-r-- root/root 3040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zk1_4p7.sdf -rw-rw-r-- root/root 4609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zk5_4p4.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zk6_ntm.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zkl_amp.sdf -rw-rw-r-- root/root 7751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zkl_jb6.sdf -rw-rw-r-- root/root 3626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zl1_18x.sdf -rw-rw-r-- root/root 4132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zla_bes.sdf -rw-rw-r-- root/root 8152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zls_g61.sdf -rw-rw-r-- root/root 2070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zly_4ru.sdf -rw-rw-r-- root/root 3156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zlz_4rv.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zme_adn.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zmf_amp.sdf -rw-rw-r-- root/root 3532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zmg_4r5.sdf -rw-rw-r-- root/root 4878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zn9_obh.sdf -rw-rw-r-- root/root 4723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4znh_obc.sdf -rw-rw-r-- root/root 4723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zns_ofb.sdf -rw-rw-r-- root/root 4723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4znt_obb.sdf -rw-rw-r-- root/root 4972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4znu_4q9.sdf -rw-rw-r-- root/root 5066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4znv_4q7.sdf -rw-rw-r-- root/root 4723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4znw_obm.sdf -rw-rw-r-- root/root 3237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zo1_t3.sdf -rw-rw-r-- root/root 3283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zof_59l.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zof_prp.sdf -rw-rw-r-- root/root 5555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zog_vx6.sdf -rw-rw-r-- root/root 3390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zoj_61l.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zoj_prp.sdf -rw-rw-r-- root/root 3578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zok_62l.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zok_prp.sdf -rw-rw-r-- root/root 5906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zom_4q3.sdf -rw-rw-r-- root/root 6159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zon_4q1.sdf -rw-rw-r-- root/root 5001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zop_4q2.sdf -rw-rw-r-- root/root 2974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zow_clm.sdf -rw-rw-r-- root/root 6064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zp0_dxc.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zp1_tpp.sdf -rw-rw-r-- root/root 4165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zp2_lda.sdf -rw-rw-r-- root/root 2991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zp5_4qg.sdf -rw-rw-r-- root/root 5970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zpg_4qf.sdf -rw-rw-r-- root/root 5491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zql_4qh.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zqm_nad.sdf -rw-rw-r-- root/root 4875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zqn_4qo.sdf -rw-rw-r-- root/root 4169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zqo_q67.sdf -rw-rw-r-- root/root 6919 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zqp_kp3.sdf -rw-rw-r-- root/root 3793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zqt_4qp.sdf -rw-rw-r-- root/root 6389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zr5_rdf.sdf -rw-rw-r-- root/root 2966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zr6_4qw.sdf -rw-rw-r-- root/root 2308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zru_ti9.sdf -rw-rw-r-- root/root 2835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zs0_4qv.sdf -rw-rw-r-- root/root 3457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zs2_flu.sdf -rw-rw-r-- root/root 3633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zs3_a4f.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zs4_atp.sdf -rw-rw-r-- root/root 5741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zsa_4ut.sdf -rw-rw-r-- root/root 3180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zsc_ea4.sdf -rw-rw-r-- root/root 5133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zsh_4xw.sdf -rw-rw-r-- root/root 4189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zsw_rw2.sdf -rw-rw-r-- root/root 1245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zt8_cyt.sdf -rw-rw-r-- root/root 7417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zte_4rl.sdf -rw-rw-r-- root/root 5492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ztf_x2p.sdf -rw-rw-r-- root/root 5232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ztj_4rt.sdf -rw-rw-r-- root/root 4926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ztl_4s1.sdf -rw-rw-r-- root/root 4867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ztm_4s2.sdf -rw-rw-r-- root/root 4856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ztn_4s3.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ztq_4rm.sdf -rw-rw-r-- root/root 4970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ztr_4rj.sdf -rw-rw-r-- root/root 5254 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zts_4rk.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ztu_dct.sdf -rw-rw-r-- root/root 2431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ztv_ta7.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4ztz_dcp.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zu0_c5p.sdf -rw-rw-r-- root/root 1751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zu6_oas.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zu6_plp.sdf -rw-rw-r-- root/root 5368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zud_olm.sdf -rw-rw-r-- root/root 2014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zul_un1.sdf -rw-rw-r-- root/root 3405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zum_fks.sdf -rw-rw-r-- root/root 2758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zun_ss9.sdf -rw-rw-r-- root/root 3123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zuo_xs6.sdf -rw-rw-r-- root/root 1906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zup_5xa.sdf -rw-rw-r-- root/root 2166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zuq_6xa.sdf -rw-rw-r-- root/root 2426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zur_7xa.sdf -rw-rw-r-- root/root 3165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zvi_4s4.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zvk_et.sdf -rw-rw-r-- root/root 3660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zvl_ao.sdf -rw-rw-r-- root/root 6197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zvm_dm2.sdf -rw-rw-r-- root/root 5139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zvv_gn0.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zvv_nad.sdf -rw-rw-r-- root/root 3285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zvz_4tf.sdf -rw-rw-r-- root/root 3951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zw1_4v1.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zw3_4s9.sdf -rw-rw-r-- root/root 4261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zw5_4sa.sdf -rw-rw-r-- root/root 4269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zw6_4sy.sdf -rw-rw-r-- root/root 4302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zw7_4sz.sdf -rw-rw-r-- root/root 4811 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zw8_4t2.sdf -rw-rw-r-- root/root 4712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zwi_62i.sdf -rw-rw-r-- root/root 2506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zwp_m44.sdf -rw-rw-r-- root/root 4712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zx1_5l3.sdf -rw-rw-r-- root/root 2411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zx2_4te.sdf -rw-rw-r-- root/root 3277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zx3_4tk.sdf -rw-rw-r-- root/root 4208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zx4_4tl.sdf -rw-rw-r-- root/root 3915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zx5_4tm.sdf -rw-rw-r-- root/root 4717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zx6_4u6.sdf -rw-rw-r-- root/root 6982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zxx_4t0.sdf -rw-rw-r-- root/root 5660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zxy_4t1.sdf -rw-rw-r-- root/root 6356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zy3_k67.sdf -rw-rw-r-- root/root 4222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zy4_4t3.sdf -rw-rw-r-- root/root 4447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zy5_4t5.sdf -rw-rw-r-- root/root 4078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zy6_4t6.sdf -rw-rw-r-- root/root 3083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyb_4sq.sdf -rw-rw-r-- root/root 6029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyc_4ss.sdf -rw-rw-r-- root/root 8453 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyf_4t4.sdf -rw-rw-r-- root/root 6712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyi_4th.sdf -rw-rw-r-- root/root 3327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyr_9pg.sdf -rw-rw-r-- root/root 5281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyt_3y9.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyt_gar.sdf -rw-rw-r-- root/root 5198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyu_3ya.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyu_gar.sdf -rw-rw-r-- root/root 5021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyv_g71.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyv_gar.sdf -rw-rw-r-- root/root 4761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyw_g94.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyw_gar.sdf -rw-rw-r-- root/root 5021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyx_3yb.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyx_gar.sdf -rw-rw-r-- root/root 5021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyy_3yc.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyy_gar.sdf -rw-rw-r-- root/root 4892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyz_3yd.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zyz_gar.sdf -rw-rw-r-- root/root 5152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zz0_3ye.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zz0_gar.sdf -rw-rw-r-- root/root 4761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zz1_3yf.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zz1_gar.sdf -rw-rw-r-- root/root 4761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zz2_3yg.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zz2_gar.sdf -rw-rw-r-- root/root 4595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zz3_4dw.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zz3_gar.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zz6_ctp.sdf -rw-rw-r-- root/root 5195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zzh_4to.sdf -rw-rw-r-- root/root 4205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zzi_1ns.sdf -rw-rw-r-- root/root 5348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zzj_4tq.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zzj_cna.sdf -rw-rw-r-- root/root 4186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zzn_cq8.sdf -rw-rw-r-- root/root 3111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zzx_fsu.sdf -rw-rw-r-- root/root 4741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zzy_d7n.sdf -rw-rw-r-- root/root 3111 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/4zzz_fsu.sdf -rw-rw-r-- root/root 4741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a00_d7n.sdf -rw-rw-r-- root/root 4700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a09_jjd.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a0a_jjs.sdf -rw-rw-r-- root/root 6284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a0b_jjx.sdf -rw-rw-r-- root/root 4357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a0c_jjv.sdf -rw-rw-r-- root/root 1790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a19_ppk.sdf -rw-rw-r-- root/root 1790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a1g_ppk.sdf -rw-rw-r-- root/root 4828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a1g_s7m.sdf -rw-rw-r-- root/root 1790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a1i_ppk.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a1i_sam.sdf -rw-rw-r-- root/root 4833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a1l_s2i.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a1r_str.sdf -rw-rw-r-- root/root 3090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a1s_und.sdf -rw-rw-r-- root/root 6657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a2m_wx5.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a2r_mlt.sdf -rw-rw-r-- root/root 3897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a2s_otf.sdf -rw-rw-r-- root/root 1517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a3k_3hb.sdf -rw-rw-r-- root/root 4230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a3n_lqt.sdf -rw-rw-r-- root/root 3974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a3t_mmk.sdf -rw-rw-r-- root/root 2657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a3u_r8j.sdf -rw-rw-r-- root/root 1621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a3w_pd2.sdf -rw-rw-r-- root/root 2080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a3x_qiv.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a46_38o.sdf -rw-rw-r-- root/root 6805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a4c_xoj.sdf -rw-rw-r-- root/root 2340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a4e_7qq.sdf -rw-rw-r-- root/root 1997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a4l_zc3.sdf -rw-rw-r-- root/root 1998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a4q_y3l.sdf -rw-rw-r-- root/root 2091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a4t_ajg.sdf -rw-rw-r-- root/root 1702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a4u_i3a.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a4v_que.sdf -rw-rw-r-- root/root 4776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a4w_qct.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a50_pc.sdf -rw-rw-r-- root/root 2211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a54_5pw.sdf -rw-rw-r-- root/root 3510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a5i_xi1.sdf -rw-rw-r-- root/root 3718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a5j_6yf.sdf -rw-rw-r-- root/root 3412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a5n_8ws.sdf -rw-rw-r-- root/root 1975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a5o_j5i.sdf -rw-rw-r-- root/root 3366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a5p_jtf.sdf -rw-rw-r-- root/root 3393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a5q_6xc.sdf -rw-rw-r-- root/root 4573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a5r_np8.sdf -rw-rw-r-- root/root 4573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a5s_np8.sdf -rw-rw-r-- root/root 1760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a5z_wjz.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a64_v4e.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a65_tpp.sdf -rw-rw-r-- root/root 2071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a6n_u7e.sdf -rw-rw-r-- root/root 5670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a7b_kmn.sdf -rw-rw-r-- root/root 3032 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a7c_5d4.sdf -rw-rw-r-- root/root 2438 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a7n_vao.sdf -rw-rw-r-- root/root 3310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a7o_7wh.sdf -rw-rw-r-- root/root 3521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a7p_6z1.sdf -rw-rw-r-- root/root 2528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a7q_kch.sdf -rw-rw-r-- root/root 2957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a7s_s2x.sdf -rw-rw-r-- root/root 3699 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a7w_35m.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a80_9cj.sdf -rw-rw-r-- root/root 5154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a81_78j.sdf -rw-rw-r-- root/root 5153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a82_yej.sdf -rw-rw-r-- root/root 6322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a83_yd3.sdf -rw-rw-r-- root/root 5154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a85_78j.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a86_d7e.sdf -rw-rw-r-- root/root 4062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a8e_xtk.sdf -rw-rw-r-- root/root 4897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a8x_iuy.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a8y_mli.sdf -rw-rw-r-- root/root 4735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a8y_vbm.sdf -rw-rw-r-- root/root 4359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5a8z_iul.sdf -rw-rw-r-- root/root 4514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aa8_5p8.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aaa_vgh.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aac_vgh.sdf -rw-rw-r-- root/root 4358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aad_5gx.sdf -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aae_7hd.sdf -rw-rw-r-- root/root 5244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aaf_nl4.sdf -rw-rw-r-- root/root 6047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aag_6f2.sdf -rw-rw-r-- root/root 4534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aal_8l8.sdf -rw-rw-r-- root/root 4534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aap_vny.sdf -rw-rw-r-- root/root 4043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aau_xbr.sdf -rw-rw-r-- root/root 3360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ab9_92o.sdf -rw-rw-r-- root/root 4251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aba_ul7.sdf -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5abe_xqo.sdf -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5abf_xrj.sdf -rw-rw-r-- root/root 4421 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5abg_v0n.sdf -rw-rw-r-- root/root 4022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5abh_ywn.sdf -rw-rw-r-- root/root 5492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5abw_wqq.sdf -rw-rw-r-- root/root 4346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5abz_z47.sdf -rw-rw-r-- root/root 5201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5acc_ke9.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ack_atp.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ack_svq.sdf -rw-rw-r-- root/root 6226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5acy_9s3.sdf -rw-rw-r-- root/root 5802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ad2_etu.sdf -rw-rw-r-- root/root 4277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ad4_6m8.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ad4_h4b.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ad6_7m3.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ad6_h4b.sdf -rw-rw-r-- root/root 2965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adh_apr.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adj_h4b.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adj_m94.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adk_7m3.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adk_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adl_h4b.sdf -rw-rw-r-- root/root 3757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adl_m85.sdf -rw-rw-r-- root/root 3497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adm_9m9.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adm_h4b.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adn_2sn.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adn_h4b.sdf -rw-rw-r-- root/root 5272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adq_a95.sdf -rw-rw-r-- root/root 5552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adr_qs5.sdf -rw-rw-r-- root/root 5303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ads_qns.sdf -rw-rw-r-- root/root 5480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adt_1tc.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adz_fad.sdf -rw-rw-r-- root/root 3842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5adz_kqs.sdf -rw-rw-r-- root/root 4102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ae1_b2z.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ae1_fad.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ae2_fad.sdf -rw-rw-r-- root/root 3681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ae2_fyc.sdf -rw-rw-r-- root/root 7061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ae3_awb.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ae3_fad.sdf -rw-rw-r-- root/root 5558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ae8_vvx.sdf -rw-rw-r-- root/root 5821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ae9_oko.sdf -rw-rw-r-- root/root 3619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aee_nsq.sdf -rw-rw-r-- root/root 4798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aeh_8ir.sdf -rw-rw-r-- root/root 3456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aen_dp8.sdf -rw-rw-r-- root/root 3628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aep_qup.sdf -rw-rw-r-- root/root 2750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aes_5b0.sdf -rw-rw-r-- root/root 2677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5af9_sjr.sdf -rw-rw-r-- root/root 4077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5afg_p07.sdf -rw-rw-r-- root/root 3417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5afv_jh5.sdf -rw-rw-r-- root/root 1513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5afy_wce.sdf -rw-rw-r-- root/root 1664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5afz_tys.sdf -rw-rw-r-- root/root 5880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5afz_uet.sdf -rw-rw-r-- root/root 2227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ag3_3eb.sdf -rw-rw-r-- root/root 5568 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5agt_a2h.sdf -rw-rw-r-- root/root 7251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ah6_c7u.sdf -rw-rw-r-- root/root 6779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ah7_c7j.sdf -rw-rw-r-- root/root 7737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ah9_c7l.sdf -rw-rw-r-- root/root 2298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ahg_y4l.sdf -rw-rw-r-- root/root 2118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ai4_4vy.sdf -rw-rw-r-- root/root 2590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ai5_bsu.sdf -rw-rw-r-- root/root 4410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ai9_k78.sdf -rw-rw-r-- root/root 2858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aia_kwb.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aik_awr.sdf -rw-rw-r-- root/root 4186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ais_cwc.sdf -rw-rw-r-- root/root 3500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aiv_m1w.sdf -rw-rw-r-- root/root 4562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aix_krx.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ajq_db8.sdf -rw-rw-r-- root/root 4932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ajr_vt1.sdf -rw-rw-r-- root/root 3959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ajv_8r2.sdf -rw-rw-r-- root/root 4763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ajw_s6l.sdf -rw-rw-r-- root/root 5389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ajx_fd9.sdf -rw-rw-r-- root/root 4221 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ajy_87t.sdf -rw-rw-r-- root/root 3418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ajz_mjp.sdf -rw-rw-r-- root/root 5108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ak0_8v1.sdf -rw-rw-r-- root/root 4702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ak2_85z.sdf -rw-rw-r-- root/root 2673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ak5_v2z.sdf -rw-rw-r-- root/root 3889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ake_6n0.sdf -rw-rw-r-- root/root 2908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5akh_6nm.sdf -rw-rw-r-- root/root 3550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aki_6nf.sdf -rw-rw-r-- root/root 2143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5akj_6n4.sdf -rw-rw-r-- root/root 3926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5akl_6n8.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aks_r3x.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5akt_r4g.sdf -rw-rw-r-- root/root 4618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5akv_g7g.sdf -rw-rw-r-- root/root 2864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aky_6nj.sdf -rw-rw-r-- root/root 3070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5al0_r3s.sdf -rw-rw-r-- root/root 3664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5al1_gn5.sdf -rw-rw-r-- root/root 3404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5al2_o53.sdf -rw-rw-r-- root/root 2906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5al3_tgw.sdf -rw-rw-r-- root/root 4291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5al5_jl9.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5al8_d75.sdf -rw-rw-r-- root/root 3019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ald_fcw.sdf -rw-rw-r-- root/root 1812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ale_onr.sdf -rw-rw-r-- root/root 4363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alf_oe1.sdf -rw-rw-r-- root/root 4976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alg_r4n.sdf -rw-rw-r-- root/root 6500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alh_4ua.sdf -rw-rw-r-- root/root 5967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ali_q3b.sdf -rw-rw-r-- root/root 3323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alj_t5j.sdf -rw-rw-r-- root/root 3810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alk_wmr.sdf -rw-rw-r-- root/root 3799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alm_7gm.sdf -rw-rw-r-- root/root 3052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aln_5zm.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alo_a0j.sdf -rw-rw-r-- root/root 3797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alp_qyd.sdf -rw-rw-r-- root/root 3030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alq_gzp.sdf -rw-rw-r-- root/root 3002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alr_8tm.sdf -rw-rw-r-- root/root 4160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5als_5dq.sdf -rw-rw-r-- root/root 2626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alt_9xz.sdf -rw-rw-r-- root/root 5879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alu_hd2.sdf -rw-rw-r-- root/root 1800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alv_6tz.sdf -rw-rw-r-- root/root 3323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alw_jqn.sdf -rw-rw-r-- root/root 2768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alx_dul.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aly_b7h.sdf -rw-rw-r-- root/root 4780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5alz_xq9.sdf -rw-rw-r-- root/root 3135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5am0_lws.sdf -rw-rw-r-- root/root 4754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5am1_i5t.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5am4_mvj.sdf -rw-rw-r-- root/root 3339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5am5_6nz.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5am6_38o.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5am7_38o.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5am9_p6g.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ama_p6g.sdf -rw-rw-r-- root/root 4008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5amb_p6g.sdf -rw-rw-r-- root/root 3770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5amd_45i.sdf -rw-rw-r-- root/root 1857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ame_pw3.sdf -rw-rw-r-- root/root 2578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5amf_twl.sdf -rw-rw-r-- root/root 3416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5amn_dtq.sdf -rw-rw-r-- root/root 3354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5anq_5yq.sdf -rw-rw-r-- root/root 4082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ans_rx8.sdf -rw-rw-r-- root/root 3937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ant_rje.sdf -rw-rw-r-- root/root 4125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5anu_58t.sdf -rw-rw-r-- root/root 4040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5anv_rgj.sdf -rw-rw-r-- root/root 3751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5anw_9cq.sdf -rw-rw-r-- root/root 3003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aoi_rzh.sdf -rw-rw-r-- root/root 2264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aoj_y0v.sdf -rw-rw-r-- root/root 2631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aok_goh.sdf -rw-rw-r-- root/root 1794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aol_ufv.sdf -rw-rw-r-- root/root 2929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aom_fy8.sdf -rw-rw-r-- root/root 5875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ap0_au5.sdf -rw-rw-r-- root/root 4457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ap0_p4c.sdf -rw-rw-r-- root/root 5187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ap1_o38.sdf -rw-rw-r-- root/root 5648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ap2_pwu.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ap3_7pe.sdf -rw-rw-r-- root/root 5875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ap3_au5.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ap4_7pe.sdf -rw-rw-r-- root/root 5187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ap4_o38.sdf -rw-rw-r-- root/root 1389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ap5_1ka.sdf -rw-rw-r-- root/root 5634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ap5_7ro.sdf -rw-rw-r-- root/root 5648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ap6_pwu.sdf -rw-rw-r-- root/root 7986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ap7_sve.sdf -rw-rw-r-- root/root 1412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5apa_lmr.sdf -rw-rw-r-- root/root 4337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aph_vyi.sdf -rw-rw-r-- root/root 4819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5apj_76e.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqf_adn.sdf -rw-rw-r-- root/root 3593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqg_zjb.sdf -rw-rw-r-- root/root 2077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqh_zvo.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqi_ade.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqj_q88.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqk_gdp.sdf -rw-rw-r-- root/root 1910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqn_jg8.sdf -rw-rw-r-- root/root 1967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqo_cws.sdf -rw-rw-r-- root/root 1708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqp_1lq.sdf -rw-rw-r-- root/root 1963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqq_bbw.sdf -rw-rw-r-- root/root 2056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqr_n8y.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqs_1sq.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqt_5p7.sdf -rw-rw-r-- root/root 3738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqu_ux0.sdf -rw-rw-r-- root/root 4647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqv_kc7.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqw_5p7.sdf -rw-rw-r-- root/root 4647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqx_kc7.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqy_adn.sdf -rw-rw-r-- root/root 3415 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aqz_sgv.sdf -rw-rw-r-- root/root 4772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ar0_gb8.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ar3_acp.sdf -rw-rw-r-- root/root 3988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ar4_sb2.sdf -rw-rw-r-- root/root 5118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ar5_iq7.sdf -rw-rw-r-- root/root 4202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ar7_sr8.sdf -rw-rw-r-- root/root 6625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ar8_xyw.sdf -rw-rw-r-- root/root 5052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5arf_i9h.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5arf_sam.sdf -rw-rw-r-- root/root 5056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5arg_h41.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5arg_sam.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5at1_ctp.sdf -rw-rw-r-- root/root 3149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5aut_2an.sdf -rw-rw-r-- root/root 2899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5auu_lu2.sdf -rw-rw-r-- root/root 2822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5auv_agi.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5auw_que.sdf -rw-rw-r-- root/root 3010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5auy_mri.sdf -rw-rw-r-- root/root 2822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5av0_47x.sdf -rw-rw-r-- root/root 2910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5av2_kmp.sdf -rw-rw-r-- root/root 2810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5av4_gen.sdf -rw-rw-r-- root/root 4902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5avi_4km.sdf -rw-rw-r-- root/root 5562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5avl_4kq.sdf -rw-rw-r-- root/root 4688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5awa_m8d.sdf -rw-rw-r-- root/root 4738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5awb_m0a.sdf -rw-rw-r-- root/root 4300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5awc_m4d.sdf -rw-rw-r-- root/root 4721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5awd_idq.sdf -rw-rw-r-- root/root 7355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5awj_ysl.sdf -rw-rw-r-- root/root 6309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5awk_yse.sdf -rw-rw-r-- root/root 3062 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ax3_5id.sdf -rw-rw-r-- root/root 5015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ax9_4kt.sdf -rw-rw-r-- root/root 2873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5axb_nrn.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5axc_arj.sdf -rw-rw-r-- root/root 2685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5axd_rbv.sdf -rw-rw-r-- root/root 4726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5axp_4lk.sdf -rw-rw-r-- root/root 5779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5axq_4lp.sdf -rw-rw-r-- root/root 5593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ayg_4lq.sdf -rw-rw-r-- root/root 1808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ayj_mua.sdf -rw-rw-r-- root/root 2235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ayk_1ps.sdf -rw-rw-r-- root/root 2235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ayl_1ps.sdf -rw-rw-r-- root/root 3294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ayt_l6y.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ayy_ntm.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ayz_ncn.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5az5_mbl.sdf -rw-rw-r-- root/root 2902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b09_4mx.sdf -rw-rw-r-- root/root 3618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b0x_hck.sdf -rw-rw-r-- root/root 5885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b25_4qj.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b27_plm.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b28_plm.sdf -rw-rw-r-- root/root 4105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b2u_w06.sdf -rw-rw-r-- root/root 4105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b2v_w06.sdf -rw-rw-r-- root/root 4387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b2x_w0t.sdf -rw-rw-r-- root/root 5233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b2y_w10.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b36_plp.sdf -rw-rw-r-- root/root 6572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b41_ysv.sdf -rw-rw-r-- root/root 3996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b4k_6dt.sdf -rw-rw-r-- root/root 5875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b4l_6dw.sdf -rw-rw-r-- root/root 2365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b4o_6dq.sdf -rw-rw-r-- root/root 4635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b59_kto.sdf -rw-rw-r-- root/root 8390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b5b_akx.sdf -rw-rw-r-- root/root 3066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b5f_6f3.sdf -rw-rw-r-- root/root 2807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b5g_6fx.sdf -rw-rw-r-- root/root 2802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b5o_wmm.sdf -rw-rw-r-- root/root 4430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b5p_wnn.sdf -rw-rw-r-- root/root 4548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b7b_nuz.sdf -rw-rw-r-- root/root 3995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b7v_lwj.sdf -rw-rw-r-- root/root 1678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5b8d_6t4.sdf -rw-rw-r-- root/root 3969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bml_4tw.sdf -rw-rw-r-- root/root 4078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bms_4t6.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bn9_adp.sdf -rw-rw-r-- root/root 4651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bne_7p3.sdf -rw-rw-r-- root/root 4941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bnj_4tv.sdf -rw-rw-r-- root/root 4020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bnm_4vk.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bnm_pg4.sdf -rw-rw-r-- root/root 3925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bnr_4vl.sdf -rw-rw-r-- root/root 5648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bns_4vm.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bo2_7p1.sdf -rw-rw-r-- root/root 4391 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bo3_7p2.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bo6_cdp.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bo7_ctp.sdf -rw-rw-r-- root/root 6542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bo9_csf.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5boc_tsj.sdf -rw-rw-r-- root/root 3757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bod_ttj.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5boe_pep.sdf -rw-rw-r-- root/root 3589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5boj_4tx.sdf -rw-rw-r-- root/root 4506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bol_1gc.sdf -rw-rw-r-- root/root 3625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5boo_d65.sdf -rw-rw-r-- root/root 2684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bot_4um.sdf -rw-rw-r-- root/root 3228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5boy_4ue.sdf -rw-rw-r-- root/root 2389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bp0_fn1.sdf -rw-rw-r-- root/root 5044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bpa_4uf.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bpc_f2a.sdf -rw-rw-r-- root/root 5875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bpe_e22.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bpl_adp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bpm_atp.sdf -rw-rw-r-- root/root 2992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bpp_a4z.sdf -rw-rw-r-- root/root 7492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bpy_4uq.sdf -rw-rw-r-- root/root 5040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bq0_4us.sdf -rw-rw-r-- root/root 2683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bqe_mly.sdf -rw-rw-r-- root/root 2980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bqg_4uj.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bqg_gsh.sdf -rw-rw-r-- root/root 4746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bqh_4uk.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bqh_gsh.sdf -rw-rw-r-- root/root 5202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bqi_4ul.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bqi_gsh.sdf -rw-rw-r-- root/root 6386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bqx_4ur.sdf -rw-rw-r-- root/root 3318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5brn_4x2.sdf -rw-rw-r-- root/root 7374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bry_4uy.sdf -rw-rw-r-- root/root 7196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bs4_4ux.sdf -rw-rw-r-- root/root 4849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bs8_mfx.sdf -rw-rw-r-- root/root 3484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bsk_4x7.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bsm_atp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bsr_amp.sdf -rw-rw-r-- root/root 4969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bst_4uu.sdf -rw-rw-r-- root/root 4897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bsu_4uv.sdf -rw-rw-r-- root/root 5323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bsv_4uw.sdf -rw-rw-r-- root/root 6241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bt3_2lo.sdf -rw-rw-r-- root/root 6241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bt5_2lo.sdf -rw-rw-r-- root/root 3860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5btc_cpf.sdf -rw-rw-r-- root/root 4489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5btd_gfn.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5btg_lfx.sdf -rw-rw-r-- root/root 4762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5btl_8mx.sdf -rw-rw-r-- root/root 6983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5btq_bla.sdf -rw-rw-r-- root/root 2681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5btr_stl.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5buc_et.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bue_4v8.sdf -rw-rw-r-- root/root 3423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bui_4v9.sdf -rw-rw-r-- root/root 3429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5buj_4vb.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bur_atp.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bus_amp.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bv5_pim.sdf -rw-rw-r-- root/root 3270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bv6_35g.sdf -rw-rw-r-- root/root 5389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bvd_4vf.sdf -rw-rw-r-- root/root 5649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bve_4vg.sdf -rw-rw-r-- root/root 5649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bvf_4vj.sdf -rw-rw-r-- root/root 2780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bvk_4vc.sdf -rw-rw-r-- root/root 4691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bvn_4vd.sdf -rw-rw-r-- root/root 4799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bvo_4ve.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bvw_1n1.sdf -rw-rw-r-- root/root 4402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bwb_4vv.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bwc_hbp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bwm_gdp.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bwo_plm.sdf -rw-rw-r-- root/root 2739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bwz_xch.sdf -rw-rw-r-- root/root 2237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bx0_4w5.sdf -rw-rw-r-- root/root 4226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bx1_4xa.sdf -rw-rw-r-- root/root 5448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bxc_da8.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bxc_udp.sdf -rw-rw-r-- root/root 1458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bxj_npo.sdf -rw-rw-r-- root/root 6208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bya_4wz.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bya_adp.sdf -rw-rw-r-- root/root 5860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5byb_4wy.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5byb_adp.sdf -rw-rw-r-- root/root 5896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5byy_4wg.sdf -rw-rw-r-- root/root 5968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5byz_4we.sdf -rw-rw-r-- root/root 2472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzc_4wt.sdf -rw-rw-r-- root/root 2306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bze_68n.sdf -rw-rw-r-- root/root 2306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bze_6bt.sdf -rw-rw-r-- root/root 2649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzf_4x3.sdf -rw-rw-r-- root/root 2389 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzg_4x6.sdf -rw-rw-r-- root/root 2909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzh_4x1.sdf -rw-rw-r-- root/root 2129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzi_4wu.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzj_4wn.sdf -rw-rw-r-- root/root 3014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzk_4wp.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzl_4wo.sdf -rw-rw-r-- root/root 3652 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzm_4x8.sdf -rw-rw-r-- root/root 3003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzn_4xd.sdf -rw-rw-r-- root/root 3274 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzo_4xc.sdf -rw-rw-r-- root/root 3606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzp_4xg.sdf -rw-rw-r-- root/root 4067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzq_4xl.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzr_4xm.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzs_4xk.sdf -rw-rw-r-- root/root 3614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5bzt_4xj.sdf -rw-rw-r-- root/root 86 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c01_unl.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c03_ags.sdf -rw-rw-r-- root/root 2798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c0k_4wk.sdf -rw-rw-r-- root/root 2316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c0l_4wj.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c18_ags.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c1b_ags.sdf -rw-rw-r-- root/root 5448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c1g_da8.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c1g_gdu.sdf -rw-rw-r-- root/root 5448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c1l_da8.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c1l_gdu.sdf -rw-rw-r-- root/root 5828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c1m_4vo.sdf -rw-rw-r-- root/root 2918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c1q_4yk.sdf -rw-rw-r-- root/root 3233 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c1r_51n.sdf -rw-rw-r-- root/root 1878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c1w_4xs.sdf -rw-rw-r-- root/root 4171 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c24_4xo.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c25_639.sdf -rw-rw-r-- root/root 4419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c26_50h.sdf -rw-rw-r-- root/root 5953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c27_50j.sdf -rw-rw-r-- root/root 2043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c28_4xv.sdf -rw-rw-r-- root/root 2823 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c29_4xy.sdf -rw-rw-r-- root/root 3387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c2a_4y2.sdf -rw-rw-r-- root/root 4048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c2h_4px.sdf -rw-rw-r-- root/root 5862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c37_4xn.sdf -rw-rw-r-- root/root 5448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c38_da8.sdf -rw-rw-r-- root/root 5645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c38_urm.sdf -rw-rw-r-- root/root 5645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c3a_urm.sdf -rw-rw-r-- root/root 5645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c3d_urm.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c3h_4xe.sdf -rw-rw-r-- root/root 2400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c3k_4xf.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c4e_4ya.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c4e_udp.sdf -rw-rw-r-- root/root 4209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c4g_bqr.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c4g_gdp.sdf -rw-rw-r-- root/root 3810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c51_1ry.sdf -rw-rw-r-- root/root 6366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c5a_nut.sdf -rw-rw-r-- root/root 3913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c5e_52m.sdf -rw-rw-r-- root/root 3561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c5p_0e0.sdf -rw-rw-r-- root/root 3467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c5q_g9w.sdf -rw-rw-r-- root/root 7565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c65_y01.sdf -rw-rw-r-- root/root 1903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c6s_4k8.sdf -rw-rw-r-- root/root 3733 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c7a_4ye.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c7b_4yd.sdf -rw-rw-r-- root/root 4264 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c7c_4yc.sdf -rw-rw-r-- root/root 3660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c7d_4yf.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c7g_bcn.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c7n_bmf.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c7s_prp.sdf -rw-rw-r-- root/root 1180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c7v_pyc.sdf -rw-rw-r-- root/root 5953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c83_4yn.sdf -rw-rw-r-- root/root 4794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c84_4yl.sdf -rw-rw-r-- root/root 1801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c85_4yo.sdf -rw-rw-r-- root/root 1714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c87_4ys.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c89_4yt.sdf -rw-rw-r-- root/root 5097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c8k_4yv.sdf -rw-rw-r-- root/root 5178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c8m_4yw.sdf -rw-rw-r-- root/root 5687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c8n_4yx.sdf -rw-rw-r-- root/root 4113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c8y_pn6.sdf -rw-rw-r-- root/root 5424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c9c_4z5.sdf -rw-rw-r-- root/root 2056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c9r_4yz.sdf -rw-rw-r-- root/root 1996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c9u_4z1.sdf -rw-rw-r-- root/root 1890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c9w_4z3.sdf -rw-rw-r-- root/root 1465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c9x_4z4.sdf -rw-rw-r-- root/root 5081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5c9z_4z2.sdf -rw-rw-r-- root/root 5601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ca0_lxl.sdf -rw-rw-r-- root/root 2982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ca1_nzo.sdf -rw-rw-r-- root/root 3065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ca7_dgt.sdf -rw-rw-r-- root/root 1548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cah_4za.sdf -rw-rw-r-- root/root 2413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cak_4z9.sdf -rw-rw-r-- root/root 4894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cal_4z8.sdf -rw-rw-r-- root/root 5001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5can_4zb.sdf -rw-rw-r-- root/root 5071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cao_4zg.sdf -rw-rw-r-- root/root 4988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cap_4zh.sdf -rw-rw-r-- root/root 5001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5caq_4zj.sdf -rw-rw-r-- root/root 5388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cas_4zq.sdf -rw-rw-r-- root/root 5388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cav_4zq.sdf -rw-rw-r-- root/root 4346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cb4_tiv.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cbb_4zf.sdf -rw-rw-r-- root/root 1359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cbi_4zc.sdf -rw-rw-r-- root/root 1878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cbj_4zd.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cbl_lat.sdf -rw-rw-r-- root/root 3055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cbr_4zk.sdf -rw-rw-r-- root/root 3117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cbs_e42.sdf -rw-rw-r-- root/root 3012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cbt_4zl.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cbt_pge.sdf -rw-rw-r-- root/root 3819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cbu_4zm.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cbu_pge.sdf -rw-rw-r-- root/root 3829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cbv_4zp.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cbv_pge.sdf -rw-rw-r-- root/root 3633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cbw_4zo.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cbw_pge.sdf -rw-rw-r-- root/root 1994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cc2_cka.sdf -rw-rw-r-- root/root 1820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cc3_4zu.sdf -rw-rw-r-- root/root 1808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cc5_ico.sdf -rw-rw-r-- root/root 1808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cc6_4zv.sdf -rw-rw-r-- root/root 1799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cc7_1f1.sdf -rw-rw-r-- root/root 5172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cc9_ddf.sdf -rw-rw-r-- root/root 3309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ccl_4zw.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ccl_sam.sdf -rw-rw-r-- root/root 6639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ccm_4zx.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ccm_sam.sdf -rw-rw-r-- root/root 4006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ccn_4zz.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ccn_pge.sdf -rw-rw-r-- root/root 3097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ccq_502.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ccq_pge.sdf -rw-rw-r-- root/root 4053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ccr_4zt.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ccr_pge.sdf -rw-rw-r-- root/root 4539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ccs_c4y.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ccy_tmp.sdf -rw-rw-r-- root/root 2245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ccz_50c.sdf -rw-rw-r-- root/root 4161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cdm_54q.sdf -rw-rw-r-- root/root 6748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cdn_evp.sdf -rw-rw-r-- root/root 4178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cdo_50m.sdf -rw-rw-r-- root/root 4178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cdo_53l.sdf -rw-rw-r-- root/root 4178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cdo_53m.sdf -rw-rw-r-- root/root 4849 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cdq_mfx.sdf -rw-rw-r-- root/root 4287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ce1_50k.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ce3_adp.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ce4_ola.sdf -rw-rw-r-- root/root 3240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ceh_50p.sdf -rw-rw-r-- root/root 2990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cei_50r.sdf -rw-rw-r-- root/root 5295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ceo_50d.sdf -rw-rw-r-- root/root 4279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cep_50e.sdf -rw-rw-r-- root/root 5180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ceq_50f.sdf -rw-rw-r-- root/root 2245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cew_6mw.sdf -rw-rw-r-- root/root 5440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cf4_50y.sdf -rw-rw-r-- root/root 5392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cf5_50w.sdf -rw-rw-r-- root/root 5014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cf6_50o.sdf -rw-rw-r-- root/root 5475 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cf8_50v.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cfb_sy9.sdf -rw-rw-r-- root/root 5970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cfw_53w.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cg4_6uv.sdf -rw-rw-r-- root/root 2282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cga_kp6.sdf -rw-rw-r-- root/root 4272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cgb_51c.sdf -rw-rw-r-- root/root 2658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cgc_51d.sdf -rw-rw-r-- root/root 2833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cgd_51e.sdf -rw-rw-r-- root/root 1762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cge_51f.sdf -rw-rw-r-- root/root 5448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cgj_51m.sdf -rw-rw-r-- root/root 5970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cgp_53w.sdf -rw-rw-r-- root/root 3060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cgq_f9f.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cgv_0n8.sdf -rw-rw-r-- root/root 2610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5chk_55r.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ci7_51w.sdf -rw-rw-r-- root/root 2505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ci9_549.sdf -rw-rw-r-- root/root 1612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cic_51r.sdf -rw-rw-r-- root/root 2249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cix_211.sdf -rw-rw-r-- root/root 2031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ciy_3dr.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cj2_gdp.sdf -rw-rw-r-- root/root 3194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cj6_51y.sdf -rw-rw-r-- root/root 3775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cjf_520.sdf -rw-rw-r-- root/root 1539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cjm_4wl.sdf -rw-rw-r-- root/root 2433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cjn_52f.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cjp_gtp.sdf -rw-rw-r-- root/root 3008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cks_52l.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cl0_u5p.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cll_gdp.sdf -rw-rw-r-- root/root 1855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5clp_42j.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5clq_gnp.sdf -rw-rw-r-- root/root 4343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cmk_ly5.sdf -rw-rw-r-- root/root 1948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cmm_sym.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cna_mma.sdf -rw-rw-r-- root/root 1656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cni_ggl.sdf -rw-rw-r-- root/root 2885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cnj_52q.sdf -rw-rw-r-- root/root 1656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cnk_ggl.sdf -rw-rw-r-- root/root 2885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cnm_52q.sdf -rw-rw-r-- root/root 4583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5coi_55k.sdf -rw-rw-r-- root/root 1673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5coj_tze.sdf -rw-rw-r-- root/root 7197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cok_52u.sdf -rw-rw-r-- root/root 7289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5con_52w.sdf -rw-rw-r-- root/root 7653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5coo_52z.sdf -rw-rw-r-- root/root 7465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cop_53f.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5coq_nad.sdf -rw-rw-r-- root/root 4057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5coq_tcu.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5coy_swe.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cp5_eb0.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cp8_ete.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cp8_nad.sdf -rw-rw-r-- root/root 4057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cp8_tcu.sdf -rw-rw-r-- root/root 1690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cp9_6o5.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cpb_nad.sdf -rw-rw-r-- root/root 4561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cpe_eb2.sdf -rw-rw-r-- root/root 4226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cpf_53k.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cpf_nad.sdf -rw-rw-r-- root/root 2527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cph_evo.sdf -rw-rw-r-- root/root 2298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cpp_ado.sdf -rw-rw-r-- root/root 3702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cpr_539.sdf -rw-rw-r-- root/root 1442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cq3_53b.sdf -rw-rw-r-- root/root 1691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cq4_53c.sdf -rw-rw-r-- root/root 2406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cq7_53g.sdf -rw-rw-r-- root/root 1681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cq8_ac6.sdf -rw-rw-r-- root/root 3677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cqj_53q.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cqt_eb3.sdf -rw-rw-r-- root/root 3708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cqu_jrj.sdf -rw-rw-r-- root/root 4176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cr7_5wo.sdf -rw-rw-r-- root/root 3825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5crz_eb7.sdf -rw-rw-r-- root/root 2454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cs6_k82.sdf -rw-rw-r-- root/root 4345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cs8_eb8.sdf -rw-rw-r-- root/root 2491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5csh_54e.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5csh_atp.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5csl_coa.sdf -rw-rw-r-- root/root 2768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cso_ctn.sdf -rw-rw-r-- root/root 1771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5csp_54g.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cst_cdp.sdf -rw-rw-r-- root/root 1600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5csv_gab.sdf -rw-rw-r-- root/root 6628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5csx_54j.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5csx_glc.sdf -rw-rw-r-- root/root 3363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ct0_54p.sdf -rw-rw-r-- root/root 1481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ct3_54o.sdf -rw-rw-r-- root/root 4922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ct7_55j.sdf -rw-rw-r-- root/root 5019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ctb_57j.sdf -rw-rw-r-- root/root 5066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ctc_57k.sdf -rw-rw-r-- root/root 5846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cte_57l.sdf -rw-rw-r-- root/root 3803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ctl_eb9.sdf -rw-rw-r-- root/root 3100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cto_ntd.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ctp_54r.sdf -rw-rw-r-- root/root 2011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ctu_54x.sdf -rw-rw-r-- root/root 2384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ctw_55d.sdf -rw-rw-r-- root/root 3737 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ctx_55g.sdf -rw-rw-r-- root/root 2828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cty_55h.sdf -rw-rw-r-- root/root 1771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cu0_54g.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cu0_54r.sdf -rw-rw-r-- root/root 1771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cu2_54g.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cu2_551.sdf -rw-rw-r-- root/root 5445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cu4_54s.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cu6_atp.sdf -rw-rw-r-- root/root 1535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cu8_54t.sdf -rw-rw-r-- root/root 2932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cua_54u.sdf -rw-rw-r-- root/root 3435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cub_54v.sdf -rw-rw-r-- root/root 2279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cuc_54w.sdf -rw-rw-r-- root/root 1289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cud_es4.sdf -rw-rw-r-- root/root 1771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cue_54y.sdf -rw-rw-r-- root/root 1948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cug_tyz.sdf -rw-rw-r-- root/root 2277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cur_bm0.sdf -rw-rw-r-- root/root 1965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cvf_54z.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cvf_atp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cvh_adp.sdf -rw-rw-r-- root/root 2292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cvj_n7i.sdf -rw-rw-r-- root/root 2658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cvu_55b.sdf -rw-rw-r-- root/root 2292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cvv_n7i.sdf -rw-rw-r-- root/root 893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cw1_pyz.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cwr_dcp.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cx9_551.sdf -rw-rw-r-- root/root 6905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cxa_55l.sdf -rw-rw-r-- root/root 4491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cxh_55m.sdf -rw-rw-r-- root/root 894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cxr_byz.sdf -rw-rw-r-- root/root 4418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cxv_0hk.sdf -rw-rw-r-- root/root 5476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cxy_55t.sdf -rw-rw-r-- root/root 4277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cxz_55u.sdf -rw-rw-r-- root/root 3687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cy3_55y.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5cy9_e0a.sdf -rw-rw-r-- root/root 4653 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5czk_57z.sdf -rw-rw-r-- root/root 7895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5czm_r47.sdf -rw-rw-r-- root/root 4926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d0c_e0b.sdf -rw-rw-r-- root/root 5285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d10_563.sdf -rw-rw-r-- root/root 3985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d12_g97.sdf -rw-rw-r-- root/root 3108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d1s_56q.sdf -rw-rw-r-- root/root 4452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d1t_56r.sdf -rw-rw-r-- root/root 3628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d1u_56p.sdf -rw-rw-r-- root/root 3108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d21_56n.sdf -rw-rw-r-- root/root 4181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d24_l26.sdf -rw-rw-r-- root/root 4798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d25_56m.sdf -rw-rw-r-- root/root 4973 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d26_l28.sdf -rw-rw-r-- root/root 3211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d29_5q1.sdf -rw-rw-r-- root/root 7082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d2b_56o.sdf -rw-rw-r-- root/root 1572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d2t_6vp.sdf -rw-rw-r-- root/root 7082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d3c_56o.sdf -rw-rw-r-- root/root 9277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d3f_fsc.sdf -rw-rw-r-- root/root 5150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d3h_57g.sdf -rw-rw-r-- root/root 4963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d3j_l33.sdf -rw-rw-r-- root/root 5316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d3l_57f.sdf -rw-rw-r-- root/root 4443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d3n_l40.sdf -rw-rw-r-- root/root 4383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d3p_57e.sdf -rw-rw-r-- root/root 5588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d3r_57c.sdf -rw-rw-r-- root/root 4913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d3s_579.sdf -rw-rw-r-- root/root 4347 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d3t_56y.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d3x_4ip.sdf -rw-rw-r-- root/root 3721 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d41_57n.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d41_anp.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d42_tmp.sdf -rw-rw-r-- root/root 4760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d45_57p.sdf -rw-rw-r-- root/root 5026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d47_l19.sdf -rw-rw-r-- root/root 5888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d48_l96.sdf -rw-rw-r-- root/root 3224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d4a_57q.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d4g_u5p.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d5a_bu1.sdf -rw-rw-r-- root/root 3997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d5a_cau.sdf -rw-rw-r-- root/root 2315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d5q_57o.sdf -rw-rw-r-- root/root 3539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d69_57t.sdf -rw-rw-r-- root/root 2944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d6p_57u.sdf -rw-rw-r-- root/root 3761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d6q_57v.sdf -rw-rw-r-- root/root 5056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d6r_en0.sdf -rw-rw-r-- root/root 4497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d7a_58c.sdf -rw-rw-r-- root/root 4140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d7c_57w.sdf -rw-rw-r-- root/root 3617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d7d_57x.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d7n_1pe.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d7o_ar6.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d7p_ar6.sdf -rw-rw-r-- root/root 2789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d7p_ocz.sdf -rw-rw-r-- root/root 3037 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d7q_4i5.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d7q_ar6.sdf -rw-rw-r-- root/root 4069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d7r_57y.sdf -rw-rw-r-- root/root 2978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d7x_xz8.sdf -rw-rw-r-- root/root 3290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d85_p1t.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d8u_0n8.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d9f_58g.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d9j_0n8.sdf -rw-rw-r-- root/root 4635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d9k_584.sdf -rw-rw-r-- root/root 2882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d9l_583.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d9w_asc.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5d9x_gsh.sdf -rw-rw-r-- root/root 5070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5da3_58v.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dab_58w.sdf -rw-rw-r-- root/root 3759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5daq_58d.sdf -rw-rw-r-- root/root 3593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dav_58j.sdf -rw-rw-r-- root/root 3405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5daw_58k.sdf -rw-rw-r-- root/root 3145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dax_58l.sdf -rw-rw-r-- root/root 5945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5db0_58p.sdf -rw-rw-r-- root/root 5331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5db1_58o.sdf -rw-rw-r-- root/root 5595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5db2_58r.sdf -rw-rw-r-- root/root 6500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5db3_58q.sdf -rw-rw-r-- root/root 1751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dbe_oas.sdf -rw-rw-r-- root/root 2353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dbi_xog.sdf -rw-rw-r-- root/root 4007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dbm_58n.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dbs_tmp.sdf -rw-rw-r-- root/root 2505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dch_1yo.sdf -rw-rw-r-- root/root 2103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dcu_teg.sdf -rw-rw-r-- root/root 4182 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dcz_59b.sdf -rw-rw-r-- root/root 3808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dd9_59k.sdf -rw-rw-r-- root/root 3819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dda_59m.sdf -rw-rw-r-- root/root 3830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ddb_59q.sdf -rw-rw-r-- root/root 3841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ddc_59v.sdf -rw-rw-r-- root/root 4295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ddd_59x.sdf -rw-rw-r-- root/root 4306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dde_5a0.sdf -rw-rw-r-- root/root 975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ddf_5a1.sdf -rw-rw-r-- root/root 7575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ddl_5au.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ddy_dcp.sdf -rw-rw-r-- root/root 5935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5de1_59d.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5deb_u5p.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dei_tdp.sdf -rw-rw-r-- root/root 2915 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5del_d59.sdf -rw-rw-r-- root/root 6003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dew_59n.sdf -rw-rw-r-- root/root 5494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dey_59t.sdf -rw-rw-r-- root/root 2529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5df1_58x.sdf -rw-rw-r-- root/root 5922 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5df9_59j.sdf -rw-rw-r-- root/root 4755 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dfc_eam.sdf -rw-rw-r-- root/root 4795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dfd_59e.sdf -rw-rw-r-- root/root 6265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dfp_59u.sdf -rw-rw-r-- root/root 5268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dg5_5b4.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dg7_ttp.sdf -rw-rw-r-- root/root 4330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dg8_dz4.sdf -rw-rw-r-- root/root 4423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dg9_xg4.sdf -rw-rw-r-- root/root 4308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dgb_1fz.sdf -rw-rw-r-- root/root 1427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dgh_5a3.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dgh_anp.sdf -rw-rw-r-- root/root 1674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dgi_5a2.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dgi_adp.sdf -rw-rw-r-- root/root 6933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dgj_v64.sdf -rw-rw-r-- root/root 3702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dgm_59z.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dgn_59y.sdf -rw-rw-r-- root/root 4636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dgs_5a7.sdf -rw-rw-r-- root/root 7551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dgu_5b7.sdf -rw-rw-r-- root/root 7894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dgw_5b5.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dgz_l20.sdf -rw-rw-r-- root/root 4079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dh3_5bs.sdf -rw-rw-r-- root/root 2878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dh4_5av.sdf -rw-rw-r-- root/root 4498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dh5_5ay.sdf -rw-rw-r-- root/root 5865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dhg_dgv.sdf -rw-rw-r-- root/root 5167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dhh_dgw.sdf -rw-rw-r-- root/root 2437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dhj_5e5.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dhk_far.sdf -rw-rw-r-- root/root 5115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dhp_5aq.sdf -rw-rw-r-- root/root 5125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dhq_5ak.sdf -rw-rw-r-- root/root 5541 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dhr_5aj.sdf -rw-rw-r-- root/root 5434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dhs_5ag.sdf -rw-rw-r-- root/root 5256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dht_5a9.sdf -rw-rw-r-- root/root 1590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dhu_5a8.sdf -rw-rw-r-- root/root 3152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dhw_5bq.sdf -rw-rw-r-- root/root 3688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5di1_5df.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dia_5e6.sdf -rw-rw-r-- root/root 3239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5diq_5b9.sdf -rw-rw-r-- root/root 9384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dit_5b8.sdf -rw-rw-r-- root/root 9688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5diu_5bg.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5div_5bh.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dj5_gr2.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5djl_gsh.sdf -rw-rw-r-- root/root 3263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5djp_5bj.sdf -rw-rw-r-- root/root 3086 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5djr_5bk.sdf -rw-rw-r-- root/root 4089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5djv_5bl.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dk4_5bx.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dk4_atp.sdf -rw-rw-r-- root/root 5114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dk9_5cc.sdf -rw-rw-r-- root/root 5374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dkb_5c9.sdf -rw-rw-r-- root/root 3959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dkc_5bw.sdf -rw-rw-r-- root/root 3959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dkd_5bw.sdf -rw-rw-r-- root/root 4323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dke_5c8.sdf -rw-rw-r-- root/root 4808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dkg_5c7.sdf -rw-rw-r-- root/root 4484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dkh_5c0.sdf -rw-rw-r-- root/root 5686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dkq_5d0.sdf -rw-rw-r-- root/root 4326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dkr_5cz.sdf -rw-rw-r-- root/root 5669 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dks_5c6.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dkw_dtp.sdf -rw-rw-r-- root/root 3971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dl1_5c2.sdf -rw-rw-r-- root/root 4854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dl4_5c4.sdf -rw-rw-r-- root/root 3496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dlp_mbt.sdf -rw-rw-r-- root/root 6658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dlt_5jk.sdf -rw-rw-r-- root/root 7045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dlv_5d5.sdf -rw-rw-r-- root/root 7045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dlw_5d5.sdf -rw-rw-r-- root/root 1800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dlw_nkp.sdf -rw-rw-r-- root/root 6166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dlx_5d2.sdf -rw-rw-r-- root/root 6226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dlz_5d1.sdf -rw-rw-r-- root/root 3613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dmc_5dh.sdf -rw-rw-r-- root/root 4865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dmf_5dg.sdf -rw-rw-r-- root/root 2129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dnl_5dl.sdf -rw-rw-r-- root/root 2129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dnx_5ld.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5do9_gdp.sdf -rw-rw-r-- root/root 4500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dog_5dt.sdf -rw-rw-r-- root/root 4052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5doh_5du.sdf -rw-rw-r-- root/root 4605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dp0_5es.sdf -rw-rw-r-- root/root 5907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dpe_5h8.sdf -rw-rw-r-- root/root 6167 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dpf_5h9.sdf -rw-rw-r-- root/root 1893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dpx_l3b.sdf -rw-rw-r-- root/root 3282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dq1_5hl.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dq2_5ho.sdf -rw-rw-r-- root/root 2135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dq4_5hq.sdf -rw-rw-r-- root/root 1316 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dq5_5hs.sdf -rw-rw-r-- root/root 2795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dq8_flf.sdf -rw-rw-r-- root/root 2526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dqe_5e4.sdf -rw-rw-r-- root/root 4726 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dqf_cze.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dqi_dcp.sdf -rw-rw-r-- root/root 6296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dqq_66r.sdf -rw-rw-r-- root/root 2463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dr0_5gc.sdf -rw-rw-r-- root/root 3365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dr1_5gj.sdf -rw-rw-r-- root/root 2562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dr3_5gl.sdf -rw-rw-r-- root/root 2102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dr4_5gq.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dr4_pg4.sdf -rw-rw-r-- root/root 2937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dr7_5hj.sdf -rw-rw-r-- root/root 1687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dr8_5g1.sdf -rw-rw-r-- root/root 3624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dr9_ske.sdf -rw-rw-r-- root/root 5210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5drb_5fj.sdf -rw-rw-r-- root/root 2444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5drc_5er.sdf -rw-rw-r-- root/root 2444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dri_5eq.sdf -rw-rw-r-- root/root 4308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dro_zh2.sdf -rw-rw-r-- root/root 4734 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5drp_5ep.sdf -rw-rw-r-- root/root 4651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5drq_5em.sdf -rw-rw-r-- root/root 4590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5drr_5en.sdf -rw-rw-r-- root/root 4240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5drs_5ef.sdf -rw-rw-r-- root/root 4074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5drt_5eg.sdf -rw-rw-r-- root/root 5007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dry_5ek.sdf -rw-rw-r-- root/root 5056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ds3_09l.sdf -rw-rw-r-- root/root 4418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dsg_0hk.sdf -rw-rw-r-- root/root 5411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dsx_5ew.sdf -rw-rw-r-- root/root 6059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dsy_uhb.sdf -rw-rw-r-- root/root 5046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dt2_5ev.sdf -rw-rw-r-- root/root 1257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dtj_5g8.sdf -rw-rw-r-- root/root 2706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dtm_5f4.sdf -rw-rw-r-- root/root 2732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dtq_5f6.sdf -rw-rw-r-- root/root 3333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dtr_5f7.sdf -rw-rw-r-- root/root 12736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dtw_5f9.sdf -rw-rw-r-- root/root 5293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5du4_5ff.sdf -rw-rw-r-- root/root 4917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5du6_g59.sdf -rw-rw-r-- root/root 4867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5du8_5fk.sdf -rw-rw-r-- root/root 5234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5duc_g51.sdf -rw-rw-r-- root/root 5420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5due_5fy.sdf -rw-rw-r-- root/root 3687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5duf_g7a.sdf -rw-rw-r-- root/root 5326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dug_5fv.sdf -rw-rw-r-- root/root 5326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5duh_5ft.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5duo_olc.sdf -rw-rw-r-- root/root 6904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5duo_pp9.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5duv_lat.sdf -rw-rw-r-- root/root 4449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5duw_5go.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dv2_c5p.sdf -rw-rw-r-- root/root 7873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dv4_nmy.sdf -rw-rw-r-- root/root 3547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dw0_pls.sdf -rw-rw-r-- root/root 5426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dw1_5gd.sdf -rw-rw-r-- root/root 5426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dw2_5gd.sdf -rw-rw-r-- root/root 3779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dwg_5g4.sdf -rw-rw-r-- root/root 3530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dwi_5g3.sdf -rw-rw-r-- root/root 3530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dwj_5j2.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dwq_sfg.sdf -rw-rw-r-- root/root 5020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dwr_5h7.sdf -rw-rw-r-- root/root 2743 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dwv_5j4.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dx0_sfg.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dx1_sfg.sdf -rw-rw-r-- root/root 4168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dx4_e0c.sdf -rw-rw-r-- root/root 4763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dx6_5gy.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dx6_tpp.sdf -rw-rw-r-- root/root 1746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dx7_5h6.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dx8_sfg.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dxa_sfg.sdf -rw-rw-r-- root/root 4454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dxh_5h2.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dxj_sfg.sdf -rw-rw-r-- root/root 4539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dxk_5j1.sdf -rw-rw-r-- root/root 4373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dxm_5j0.sdf -rw-rw-r-- root/root 4373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dxq_5hz.sdf -rw-rw-r-- root/root 4576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dxt_5h5.sdf -rw-rw-r-- root/root 4576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dxu_5h5.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dxx_fmn.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dy2_fmn.sdf -rw-rw-r-- root/root 4500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dy4_5gn.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dy4_nad.sdf -rw-rw-r-- root/root 6020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dy5_5gr.sdf -rw-rw-r-- root/root 2083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dy7_5gt.sdf -rw-rw-r-- root/root 2591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dya_5gv.sdf -rw-rw-r-- root/root 4135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dyb_5k2.sdf -rw-rw-r-- root/root 1800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dyc_5gu.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dyj_amp.sdf -rw-rw-r-- root/root 5175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dyt_5hb.sdf -rw-rw-r-- root/root 1235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dyu_mz0.sdf -rw-rw-r-- root/root 5789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dyw_5hf.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dyx_ade.sdf -rw-rw-r-- root/root 4901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dyy_5hh.sdf -rw-rw-r-- root/root 2461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dz2_212.sdf -rw-rw-r-- root/root 4360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dzh_5kg.sdf -rw-rw-r-- root/root 4360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5dzi_5kf.sdf -rw-rw-r-- root/root 8403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e0f_5j7.sdf -rw-rw-r-- root/root 4430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e0i_5j6.sdf -rw-rw-r-- root/root 3606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e0r_5j5.sdf -rw-rw-r-- root/root 4749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e0w_5ke.sdf -rw-rw-r-- root/root 5009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e0x_5kd.sdf -rw-rw-r-- root/root 4713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e13_5j9.sdf -rw-rw-r-- root/root 4655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e14_5kb.sdf -rw-rw-r-- root/root 4360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e15_5ka.sdf -rw-rw-r-- root/root 4548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e19_5k7.sdf -rw-rw-r-- root/root 5090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e1c_5k8.sdf -rw-rw-r-- root/root 4751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e1e_5jg.sdf -rw-rw-r-- root/root 4767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e1g_t8g.sdf -rw-rw-r-- root/root 6880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e1s_5ja.sdf -rw-rw-r-- root/root 2833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e23_l32.sdf -rw-rw-r-- root/root 5188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e29_5jn.sdf -rw-rw-r-- root/root 4349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e29_rq3.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e2m_v14.sdf -rw-rw-r-- root/root 4631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e2n_v14.sdf -rw-rw-r-- root/root 5337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e2o_5jm.sdf -rw-rw-r-- root/root 3775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e2r_520.sdf -rw-rw-r-- root/root 1547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e3d_5jl.sdf -rw-rw-r-- root/root 1547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e3g_5jq.sdf -rw-rw-r-- root/root 7898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e41_aul.sdf -rw-rw-r-- root/root 2833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e4a_5jw.sdf -rw-rw-r-- root/root 4936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e4j_dme.sdf -rw-rw-r-- root/root 2986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e4o_l57.sdf -rw-rw-r-- root/root 3496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e4t_mbt.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e4t_pge.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e5r_mli.sdf -rw-rw-r-- root/root 2235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e5u_1ps.sdf -rw-rw-r-- root/root 4070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e6m_gap.sdf -rw-rw-r-- root/root 3863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e73_uo1.sdf -rw-rw-r-- root/root 4805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e74_5kh.sdf -rw-rw-r-- root/root 4452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e78_5kk.sdf -rw-rw-r-- root/root 2481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e7d_5kl.sdf -rw-rw-r-- root/root 4343 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e7n_5kr.sdf -rw-rw-r-- root/root 5125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e80_5kp.sdf -rw-rw-r-- root/root 6308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e88_5kt.sdf -rw-rw-r-- root/root 6846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e8a_5ks.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e8w_stu.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e8x_stu.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e8y_stu.sdf -rw-rw-r-- root/root 5022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e8z_5l4.sdf -rw-rw-r-- root/root 5022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e90_5l4.sdf -rw-rw-r-- root/root 5022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e91_5l4.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e92_anp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e95_gdp.sdf -rw-rw-r-- root/root 1458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e97_npo.sdf -rw-rw-r-- root/root 1458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e98_npo.sdf -rw-rw-r-- root/root 3045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e9c_5kv.sdf -rw-rw-r-- root/root 2149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e9c_uap.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e9e_anp.sdf -rw-rw-r-- root/root 1621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e9i_f60.sdf -rw-rw-r-- root/root 900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e9k_5kx.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e9l_6ai.sdf -rw-rw-r-- root/root 1902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e9m_bae.sdf -rw-rw-r-- root/root 3588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e9q_5ky.sdf -rw-rw-r-- root/root 4336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e9v_5l0.sdf -rw-rw-r-- root/root 1559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5e9x_5la.sdf -rw-rw-r-- root/root 1979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ea1_mrd.sdf -rw-rw-r-- root/root 5341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ea3_5nk.sdf -rw-rw-r-- root/root 4878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ea4_5nm.sdf -rw-rw-r-- root/root 7470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ea5_tm3.sdf -rw-rw-r-- root/root 4015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ea6_5np.sdf -rw-rw-r-- root/root 4679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ea7_5no.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eab_tbx.sdf -rw-rw-r-- root/root 3893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eac_tbq.sdf -rw-rw-r-- root/root 3231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ead_5l9.sdf -rw-rw-r-- root/root 3231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eae_5l8.sdf -rw-rw-r-- root/root 3130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eaf_fqc.sdf -rw-rw-r-- root/root 3582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eag_5lu.sdf -rw-rw-r-- root/root 4067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eah_5lz.sdf -rw-rw-r-- root/root 3643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eai_e6a.sdf -rw-rw-r-- root/root 4851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eak_24r.sdf -rw-rw-r-- root/root 5546 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eal_5ml.sdf -rw-rw-r-- root/root 5452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eam_5mn.sdf -rw-rw-r-- root/root 5535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eap_5mo.sdf -rw-rw-r-- root/root 5535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ear_5mq.sdf -rw-rw-r-- root/root 4183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eat_fhp.sdf -rw-rw-r-- root/root 4672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eau_fff.sdf -rw-rw-r-- root/root 4912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ebt_5n8.sdf -rw-rw-r-- root/root 4822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ebv_5lr.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ebv_coa.sdf -rw-rw-r-- root/root 7138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ebw_dga.sdf -rw-rw-r-- root/root 4266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ec4_5lq.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ec4_coa.sdf -rw-rw-r-- root/root 3309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ec8_5lp.sdf -rw-rw-r-- root/root 5354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ec9_5lo.sdf -rw-rw-r-- root/root 5152 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ece_5n2.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ech_atp.sdf -rw-rw-r-- root/root 2990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ech_jaa.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eci_atp.sdf -rw-rw-r-- root/root 2990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eci_jaa.sdf -rw-rw-r-- root/root 2990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ecl_jaa.sdf -rw-rw-r-- root/root 2990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ecm_jaa.sdf -rw-rw-r-- root/root 2704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ecv_5m2.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ed6_amp.sdf -rw-rw-r-- root/root 3073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5edb_5m8.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5edc_5m7.sdf -rw-rw-r-- root/root 3960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ede_5m6.sdf -rw-rw-r-- root/root 3932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5edg_5mg.sdf -rw-rw-r-- root/root 4458 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5edh_5mf.sdf -rw-rw-r-- root/root 4301 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5edi_5m9.sdf -rw-rw-r-- root/root 3995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5edq_5n3.sdf -rw-rw-r-- root/root 4245 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5edr_5n4.sdf -rw-rw-r-- root/root 4608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eds_5mt.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5edt_5mk.sdf -rw-rw-r-- root/root 6218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ee7_5mv.sdf -rw-rw-r-- root/root 2933 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eed_de1.sdf -rw-rw-r-- root/root 4417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eeg_s8m.sdf -rw-rw-r-- root/root 1478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eeh_p9p.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eeh_sah.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5efa_mgt.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5efc_gtp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5efq_adp.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eg2_sah.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eg3_acp.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eg7_mgt.sdf -rw-rw-r-- root/root 3257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ega_gk0.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5egh_pc.sdf -rw-rw-r-- root/root 5892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5egm_5ny.sdf -rw-rw-r-- root/root 3122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5egr_5nt.sdf -rw-rw-r-- root/root 3420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5egs_5nr.sdf -rw-rw-r-- root/root 5968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5egu_5nq.sdf -rw-rw-r-- root/root 5259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eh0_5nw.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eh9_hed.sdf -rw-rw-r-- root/root 4329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ehg_5o0.sdf -rw-rw-r-- root/root 4633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ehj_5k5.sdf -rw-rw-r-- root/root 3630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ehl_0sq.sdf -rw-rw-r-- root/root 5366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eho_5o1.sdf -rw-rw-r-- root/root 3842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ehp_5oa.sdf -rw-rw-r-- root/root 8354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ehq_5o2.sdf -rw-rw-r-- root/root 3842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ehr_5od.sdf -rw-rw-r-- root/root 2901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ehy_5o4.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ehy_7pe.sdf -rw-rw-r-- root/root 8354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ehz_5nz.sdf -rw-rw-r-- root/root 4136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ei2_5o7.sdf -rw-rw-r-- root/root 4251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ei4_5nv.sdf -rw-rw-r-- root/root 4304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ei6_5oq.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ei8_5oe.sdf -rw-rw-r-- root/root 3606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eic_5j5.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eie_tz2.sdf -rw-rw-r-- root/root 5015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eih_pz5.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eih_tz2.sdf -rw-rw-r-- root/root 1784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eiw_x0v.sdf -rw-rw-r-- root/root 5285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ej6_td6.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ej9_tpp.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ejh_nap.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eji_nap.sdf -rw-rw-r-- root/root 5284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ejm_td5.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ejv_444.sdf -rw-rw-r-- root/root 3770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ek2_5pj.sdf -rw-rw-r-- root/root 3925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ek3_5pk.sdf -rw-rw-r-- root/root 3936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ek4_5pf.sdf -rw-rw-r-- root/root 4529 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ek9_5p4.sdf -rw-rw-r-- root/root 4542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ekn_n58.sdf -rw-rw-r-- root/root 4236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eko_n17.sdf -rw-rw-r-- root/root 1772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ekx_2cq.sdf -rw-rw-r-- root/root 2198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5elb_gla.sdf -rw-rw-r-- root/root 5403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5elx_m2a.sdf -rw-rw-r-- root/root 3211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ely_5pu.sdf -rw-rw-r-- root/root 4895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5elz_3v9.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5elz_adp.sdf -rw-rw-r-- root/root 1703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5em3_5q0.sdf -rw-rw-r-- root/root 5542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5em5_5q2.sdf -rw-rw-r-- root/root 5023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5em6_5q3.sdf -rw-rw-r-- root/root 5366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5em7_5q4.sdf -rw-rw-r-- root/root 5366 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5em8_5q4.sdf -rw-rw-r-- root/root 5293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5emj_5qj.sdf -rw-rw-r-- root/root 4926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5emk_5qh.sdf -rw-rw-r-- root/root 4926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eml_5qk.sdf -rw-rw-r-- root/root 5518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5emm_5ql.sdf -rw-rw-r-- root/root 2833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5en3_7lu.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5en4_5q6.sdf -rw-rw-r-- root/root 1937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5enb_5q5.sdf -rw-rw-r-- root/root 2041 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5enc_5qd.sdf -rw-rw-r-- root/root 2240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ene_5q8.sdf -rw-rw-r-- root/root 2113 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5enf_5q7.sdf -rw-rw-r-- root/root 5716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eng_5qn.sdf -rw-rw-r-- root/root 2725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5enh_5qb.sdf -rw-rw-r-- root/root 2134 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eni_5qa.sdf -rw-rw-r-- root/root 2300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5enj_5q9.sdf -rw-rw-r-- root/root 4419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5enk_5qv.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5enm_5qu.sdf -rw-rw-r-- root/root 4905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5enn_5qs.sdf -rw-rw-r-- root/root 5080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eno_5qg.sdf -rw-rw-r-- root/root 6748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5enp_5qf.sdf -rw-rw-r-- root/root 6224 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5enq_5qe.sdf -rw-rw-r-- root/root 6318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5enr_mbx.sdf -rw-rw-r-- root/root 5805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ens_rhq.sdf -rw-rw-r-- root/root 3778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eob_5qq.sdf -rw-rw-r-- root/root 4404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eol_5qo.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eoz_0kx.sdf -rw-rw-r-- root/root 2976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ep7_5qr.sdf -rw-rw-r-- root/root 4278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5epb_5qw.sdf -rw-rw-r-- root/root 2049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5epr_5qy.sdf -rw-rw-r-- root/root 2050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eps_5qx.sdf -rw-rw-r-- root/root 2002 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eq1_bea.sdf -rw-rw-r-- root/root 7924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eqb_1yn.sdf -rw-rw-r-- root/root 3600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eqe_5r8.sdf -rw-rw-r-- root/root 5101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eqg_5re.sdf -rw-rw-r-- root/root 5361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eqh_5rf.sdf -rw-rw-r-- root/root 6471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eqi_5rh.sdf -rw-rw-r-- root/root 3634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eqp_5r9.sdf -rw-rw-r-- root/root 6198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eqy_5ra.sdf -rw-rw-r-- root/root 3416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5er4_5rl.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5er5_et.sdf -rw-rw-r-- root/root 2202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5erm_210.sdf -rw-rw-r-- root/root 2202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ero_210.sdf -rw-rw-r-- root/root 4785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5es1_5rc.sdf -rw-rw-r-- root/root 880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5es3_oxm.sdf -rw-rw-r-- root/root 5193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5es7_fon.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5esd_tdp.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ese_tpf.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5esf_tpf.sdf -rw-rw-r-- root/root 7924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5esg_1yn.sdf -rw-rw-r-- root/root 7924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5esh_1yn.sdf -rw-rw-r-- root/root 2409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eso_isc.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eso_tdp.sdf -rw-rw-r-- root/root 5208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ess_tog.sdf -rw-rw-r-- root/root 7629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5esu_toi.sdf -rw-rw-r-- root/root 3225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5et4_c3p.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5etb_5ro.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5etd_5rn.sdf -rw-rw-r-- root/root 5326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eth_5rt.sdf -rw-rw-r-- root/root 3392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5etj_im5.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5etk_5ru.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5etk_apc.sdf -rw-rw-r-- root/root 2907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5etl_5rv.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5etl_atp.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5etm_5rw.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5etm_apc.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5etn_5rx.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5etn_atp.sdf -rw-rw-r-- root/root 2918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eto_5ry.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eto_apc.sdf -rw-rw-r-- root/root 3001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5etp_5rz.sdf -rw-rw-r-- root/root 3137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5etp_apc.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5etw_xnl.sdf -rw-rw-r-- root/root 5371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ety_k56.sdf -rw-rw-r-- root/root 4456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eu1_5sw.sdf -rw-rw-r-- root/root 2138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eu9_5tx.sdf -rw-rw-r-- root/root 3402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eub_5s7.sdf -rw-rw-r-- root/root 5469 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5euq_5s8.sdf -rw-rw-r-- root/root 2226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ev8_3r9.sdf -rw-rw-r-- root/root 85 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ev9_5sb.sdf -rw-rw-r-- root/root 2444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eva_5s9.sdf -rw-rw-r-- root/root 2226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5evb_3r9.sdf -rw-rw-r-- root/root 2746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5evd_vc2.sdf -rw-rw-r-- root/root 2234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5evk_3c7.sdf -rw-rw-r-- root/root 3970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ew3_5t2.sdf -rw-rw-r-- root/root 5696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ew8_5sf.sdf -rw-rw-r-- root/root 4774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ew9_5vc.sdf -rw-rw-r-- root/root 2754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ewa_9bz.sdf -rw-rw-r-- root/root 2851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ewc_5sj.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ewd_5sh.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ewe_ctp.sdf -rw-rw-r-- root/root 4142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ewf_ctp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ewg_atp.sdf -rw-rw-r-- root/root 1714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ewh_5sg.sdf -rw-rw-r-- root/root 4496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ewl_5sl.sdf -rw-rw-r-- root/root 3337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ewm_5sm.sdf -rw-rw-r-- root/root 2435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ewv_5sn.sdf -rw-rw-r-- root/root 3309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eww_5sk.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ex0_sah.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ex3_sah.sdf -rw-rw-r-- root/root 7682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5exa_5so.sdf -rw-rw-r-- root/root 5992 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5exl_5ss.sdf -rw-rw-r-- root/root 6322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5exm_5st.sdf -rw-rw-r-- root/root 6235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5exn_5su.sdf -rw-rw-r-- root/root 4544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5exo_5sy.sdf -rw-rw-r-- root/root 4092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eyc_5sz.sdf -rw-rw-r-- root/root 5141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eyd_5t1.sdf -rw-rw-r-- root/root 5730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eyk_5u5.sdf -rw-rw-r-- root/root 5730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eym_5u5.sdf -rw-rw-r-- root/root 4897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eyp_loc.sdf -rw-rw-r-- root/root 4924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5eyr_5t0.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ez5_gtp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ezg_5t4.sdf -rw-rw-r-- root/root 4060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ezh_841.sdf -rw-rw-r-- root/root 3566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ezv_c1v.sdf -rw-rw-r-- root/root 2007 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ezv_c2z.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ezv_stu.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ezx_5t5.sdf -rw-rw-r-- root/root 4429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ezz_5t6.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f00_5t8.sdf -rw-rw-r-- root/root 4065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f01_5t7.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f03_5ta.sdf -rw-rw-r-- root/root 4924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f04_5tb.sdf -rw-rw-r-- root/root 4489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f08_5tg.sdf -rw-rw-r-- root/root 3376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f09_bc8.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f0c_5te.sdf -rw-rw-r-- root/root 4332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f0f_5td.sdf -rw-rw-r-- root/root 5937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f0h_5tc.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f1a_sal.sdf -rw-rw-r-- root/root 4456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f1h_5u6.sdf -rw-rw-r-- root/root 3158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f1j_5to.sdf -rw-rw-r-- root/root 4445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f1l_5u2.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f1r_42o.sdf -rw-rw-r-- root/root 4707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f1z_5u3.sdf -rw-rw-r-- root/root 3701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f20_5u4.sdf -rw-rw-r-- root/root 2936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f25_5tu.sdf -rw-rw-r-- root/root 3169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f27_5tt.sdf -rw-rw-r-- root/root 5525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f2f_5u7.sdf -rw-rw-r-- root/root 3268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f2l_m2p.sdf -rw-rw-r-- root/root 2496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f2p_5ty.sdf -rw-rw-r-- root/root 2071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f2s_5tz.sdf -rw-rw-r-- root/root 2154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f2w_5up.sdf -rw-rw-r-- root/root 2270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f32_5v7.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f33_pgh.sdf -rw-rw-r-- root/root 2417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f36_5ue.sdf -rw-rw-r-- root/root 1536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f37_n5j.sdf -rw-rw-r-- root/root 4509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f38_5ug.sdf -rw-rw-r-- root/root 7613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f38_coz.sdf -rw-rw-r-- root/root 2094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f39_5ub.sdf -rw-rw-r-- root/root 2524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f3a_5u9.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f3c_5u8.sdf -rw-rw-r-- root/root 2136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f3d_5uk.sdf -rw-rw-r-- root/root 3395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f3e_5uo.sdf -rw-rw-r-- root/root 4913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f3f_5us.sdf -rw-rw-r-- root/root 5200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f3g_5ul.sdf -rw-rw-r-- root/root 3403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f3i_5uj.sdf -rw-rw-r-- root/root 2939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f3t_5uh.sdf -rw-rw-r-- root/root 2677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f3z_5v5.sdf -rw-rw-r-- root/root 2677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f41_5v6.sdf -rw-rw-r-- root/root 4204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f4n_5uy.sdf -rw-rw-r-- root/root 2675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f5a_5v0.sdf -rw-rw-r-- root/root 3154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f5c_5v3.sdf -rw-rw-r-- root/root 2940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f5i_5v1.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f5q_mma.sdf -rw-rw-r-- root/root 6414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f5z_5vy.sdf -rw-rw-r-- root/root 2363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f6d_5vj.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f6r_5vo.sdf -rw-rw-r-- root/root 3567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f6u_5vk.sdf -rw-rw-r-- root/root 2236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f6w_5vl.sdf -rw-rw-r-- root/root 1465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f6y_5vm.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f74_amp.sdf -rw-rw-r-- root/root 5550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f79_4v7.sdf -rw-rw-r-- root/root 3857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f8p_fij.sdf -rw-rw-r-- root/root 2003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f8t_mrz.sdf -rw-rw-r-- root/root 2003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f8x_mrz.sdf -rw-rw-r-- root/root 2003 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f8z_mrz.sdf -rw-rw-r-- root/root 5361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f91_5wj.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f92_pg4.sdf -rw-rw-r-- root/root 3593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f94_3uo.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f95_3up.sdf -rw-rw-r-- root/root 4693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f9e_5vs.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5f9n_0kx.sdf -rw-rw-r-- root/root 5531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fah_5vt.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5faj_dcs.sdf -rw-rw-r-- root/root 5031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fbe_5w5.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fbi_5wd.sdf -rw-rw-r-- root/root 2603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fbk_tcr.sdf -rw-rw-r-- root/root 5647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fbl_5w9.sdf -rw-rw-r-- root/root 6414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fbn_5wf.sdf -rw-rw-r-- root/root 6341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fbo_5wh.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fbp_f6p.sdf -rw-rw-r-- root/root 6247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fbr_5w7.sdf -rw-rw-r-- root/root 4434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fbr_gsp.sdf -rw-rw-r-- root/root 5278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fbv_5w3.sdf -rw-rw-r-- root/root 5798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fbw_5w8.sdf -rw-rw-r-- root/root 3858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fbx_5w4.sdf -rw-rw-r-- root/root 2447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fc4_5wk.sdf -rw-rw-r-- root/root 4781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fc4_5wl.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fc5_pc.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fc6_ap2.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fcb_amp.sdf -rw-rw-r-- root/root 5148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fck_5wc.sdf -rw-rw-r-- root/root 3059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fcw_5ya.sdf -rw-rw-r-- root/root 4358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fd2_5xj.sdf -rw-rw-r-- root/root 2835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fdd_4p8.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fdg_0n8.sdf -rw-rw-r-- root/root 4320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fdl_5dv.sdf -rw-rw-r-- root/root 5396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fdo_5x2.sdf -rw-rw-r-- root/root 6284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fdp_5wr.sdf -rw-rw-r-- root/root 2166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fdq_60a.sdf -rw-rw-r-- root/root 6597 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fdr_5x3.sdf -rw-rw-r-- root/root 6284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fdx_5x1.sdf -rw-rw-r-- root/root 4736 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fdz_5x0.sdf -rw-rw-r-- root/root 1377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fe0_aly.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fe1_12q.sdf -rw-rw-r-- root/root 1880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fe2_5wv.sdf -rw-rw-r-- root/root 1891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fe3_5wx.sdf -rw-rw-r-- root/root 2068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fe4_5wy.sdf -rw-rw-r-- root/root 2068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fe5_2qc.sdf -rw-rw-r-- root/root 2540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fe6_5wz.sdf -rw-rw-r-- root/root 2560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fe7_5wu.sdf -rw-rw-r-- root/root 2859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fe8_5wt.sdf -rw-rw-r-- root/root 2953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fe9_5ws.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fem_60g.sdf -rw-rw-r-- root/root 1953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fep_41k.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fep_sam.sdf -rw-rw-r-- root/root 1955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fes_9se.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fes_sam.sdf -rw-rw-r-- root/root 2873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fez_5ad.sdf -rw-rw-r-- root/root 1955 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fez_9se.sdf -rw-rw-r-- root/root 1237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ff1_mmz.sdf -rw-rw-r-- root/root 1696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ff2_5xb.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ff2_sah.sdf -rw-rw-r-- root/root 1409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ff3_prs.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ff3_sah.sdf -rw-rw-r-- root/root 2476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ff4_5zz.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ff4_sah.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ff7_g3p.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ffy_5xd.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fg4_5xe.sdf -rw-rw-r-- root/root 4749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fg5_5xf.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fg6_5xe.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fg8_adp.sdf -rw-rw-r-- root/root 4504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fgk_5xg.sdf -rw-rw-r-- root/root 3842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fh6_5xm.sdf -rw-rw-r-- root/root 3042 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fh7_5xl.sdf -rw-rw-r-- root/root 3646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fh8_5xk.sdf -rw-rw-r-- root/root 3957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fhm_5xp.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fhn_5xo.sdf -rw-rw-r-- root/root 3633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fho_5xn.sdf -rw-rw-r-- root/root 1762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fhr_dnc.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fhr_sam.sdf -rw-rw-r-- root/root 5514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fi2_5xx.sdf -rw-rw-r-- root/root 3887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fi4_5xv.sdf -rw-rw-r-- root/root 5514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fi6_5xy.sdf -rw-rw-r-- root/root 5431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fi7_5xz.sdf -rw-rw-r-- root/root 4048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fi8_5y5.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fi9_nt8.sdf -rw-rw-r-- root/root 5378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fic_6e0.sdf -rw-rw-r-- root/root 2896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fiu_y3j.sdf -rw-rw-r-- root/root 5920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fiv_3tl.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fj2_h4b.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fj2_xeb.sdf -rw-rw-r-- root/root 3974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fjh_mmk.sdf -rw-rw-r-- root/root 2340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fjk_em6.sdf -rw-rw-r-- root/root 2496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fjv_epj.sdf -rw-rw-r-- root/root 9424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fkj_g0w.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fkk_pg4.sdf -rw-rw-r-- root/root 4854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fkk_tdc.sdf -rw-rw-r-- root/root 4854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fkl_tdc.sdf -rw-rw-r-- root/root 4854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fkm_tdc.sdf -rw-rw-r-- root/root 2398 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fky_2j4.sdf -rw-rw-r-- root/root 3436 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fl0_71i.sdf -rw-rw-r-- root/root 3010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fl1_dv1.sdf -rw-rw-r-- root/root 3368 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fl4_9fk.sdf -rw-rw-r-- root/root 3169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fl5_82e.sdf -rw-rw-r-- root/root 3075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fl6_y0r.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fm3_pp1.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fmq_mgt.sdf -rw-rw-r-- root/root 1953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fnq_s0w.sdf -rw-rw-r-- root/root 3335 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fnr_xms.sdf -rw-rw-r-- root/root 4573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fns_xyy.sdf -rw-rw-r-- root/root 5222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fnt_0pl.sdf -rw-rw-r-- root/root 6286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fnu_l6i.sdf -rw-rw-r-- root/root 7534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5foi_my8.sdf -rw-rw-r-- root/root 4383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5foq_gc8.sdf -rw-rw-r-- root/root 4243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fp0_szc.sdf -rw-rw-r-- root/root 3385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fp3_3ji.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fp3_bcn.sdf -rw-rw-r-- root/root 3388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fp4_yc8.sdf -rw-rw-r-- root/root 2689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fp8_auy.sdf -rw-rw-r-- root/root 1515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fp9_4sv.sdf -rw-rw-r-- root/root 1536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fpa_n5j.sdf -rw-rw-r-- root/root 2289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fpb_ha6.sdf -rw-rw-r-- root/root 5172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fpf_5zi.sdf -rw-rw-r-- root/root 5432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fpg_q28.sdf -rw-rw-r-- root/root 2883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fpl_qay.sdf -rw-rw-r-- root/root 1717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fpm_iwt.sdf -rw-rw-r-- root/root 1613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fpo_10l.sdf -rw-rw-r-- root/root 3974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fpv_mmk.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fq9_c6s.sdf -rw-rw-r-- root/root 2969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fqd_lvy.sdf -rw-rw-r-- root/root 4884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fqp_gqd.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fqr_qhg.sdf -rw-rw-r-- root/root 4883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fqs_j0w.sdf -rw-rw-r-- root/root 4883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fqt_7qn.sdf -rw-rw-r-- root/root 4883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fqv_vqi.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fr1_gdp.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fr2_far.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fri_zuq.sdf -rw-rw-r-- root/root 3459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5frm_wa5.sdf -rw-rw-r-- root/root 4853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5frn_quw.sdf -rw-rw-r-- root/root 5170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fro_xxj.sdf -rw-rw-r-- root/root 4015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fs5_kgm.sdf -rw-rw-r-- root/root 8443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fsa_x2n.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fsi_8dg.sdf -rw-rw-r-- root/root 4435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fsk_h6y.sdf -rw-rw-r-- root/root 2053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fsl_uan.sdf -rw-rw-r-- root/root 2317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fsm_n91.sdf -rw-rw-r-- root/root 2379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fsn_6q3.sdf -rw-rw-r-- root/root 1598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fso_s76.sdf -rw-rw-r-- root/root 6819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fto_ymx.sdf -rw-rw-r-- root/root 7079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ftq_u4w.sdf -rw-rw-r-- root/root 5685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fum_sof.sdf -rw-rw-r-- root/root 3461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fun_gza.sdf -rw-rw-r-- root/root 3461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fuq_dtc.sdf -rw-rw-r-- root/root 7223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fut_pq7.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fv3_oga.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fv7_r3z.sdf -rw-rw-r-- root/root 1526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fve_2ho.sdf -rw-rw-r-- root/root 4159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fvo_d8h.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fvo_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fvp_h4b.sdf -rw-rw-r-- root/root 4006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fvp_wos.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fvr_h4b.sdf -rw-rw-r-- root/root 4432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fvr_h65.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fvy_h4b.sdf -rw-rw-r-- root/root 4349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fvy_w64.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fvz_h4b.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fvz_w67.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fw0_h4b.sdf -rw-rw-r-- root/root 4159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fw0_w30.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fwe_oga.sdf -rw-rw-r-- root/root 5636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fwg_gpr.sdf -rw-rw-r-- root/root 4016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fwr_3x8.sdf -rw-rw-r-- root/root 4590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fxq_gd5.sdf -rw-rw-r-- root/root 4590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fxr_8ln.sdf -rw-rw-r-- root/root 2884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fxt_0la.sdf -rw-rw-r-- root/root 1836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fxv_mn1.sdf -rw-rw-r-- root/root 1177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fxx_oaa.sdf -rw-rw-r-- root/root 1412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fy0_lmr.sdf -rw-rw-r-- root/root 1149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fy4_fum.sdf -rw-rw-r-- root/root 1960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fy8_n81.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fy9_pyr.sdf -rw-rw-r-- root/root 3038 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fyb_77j.sdf -rw-rw-r-- root/root 1149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fyc_fum.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fyi_pyr.sdf -rw-rw-r-- root/root 1667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fym_2hg.sdf -rw-rw-r-- root/root 1667 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fys_2hg.sdf -rw-rw-r-- root/root 2174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fyt_wqs.sdf -rw-rw-r-- root/root 2058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fyu_by4.sdf -rw-rw-r-- root/root 1177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fyv_oaa.sdf -rw-rw-r-- root/root 2138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fyy_n6y.sdf -rw-rw-r-- root/root 1986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fyz_nyk.sdf -rw-rw-r-- root/root 2083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fz0_dj6.sdf -rw-rw-r-- root/root 2345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fz1_w77.sdf -rw-rw-r-- root/root 1836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fz6_mn1.sdf -rw-rw-r-- root/root 2498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fz7_wgt.sdf -rw-rw-r-- root/root 1412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fz8_lmr.sdf -rw-rw-r-- root/root 1452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fz9_nuk.sdf -rw-rw-r-- root/root 1595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fzb_ys6.sdf -rw-rw-r-- root/root 2281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fzc_d8s.sdf -rw-rw-r-- root/root 1668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fzd_s2g.sdf -rw-rw-r-- root/root 2445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fze_h0x.sdf -rw-rw-r-- root/root 2778 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fzf_uun.sdf -rw-rw-r-- root/root 2602 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fzg_7ia.sdf -rw-rw-r-- root/root 1710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fzh_0ti.sdf -rw-rw-r-- root/root 2789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fzi_fig.sdf -rw-rw-r-- root/root 1800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fzj_75k.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fzk_nrw.sdf -rw-rw-r-- root/root 2257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fzl_uoi.sdf -rw-rw-r-- root/root 2008 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fzm_p60.sdf -rw-rw-r-- root/root 1608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5fzn_fb2.sdf -rw-rw-r-- root/root 7384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g0s_eeh.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g0s_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g0t_nad.sdf -rw-rw-r-- root/root 6673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g0t_s72.sdf -rw-rw-r-- root/root 6354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g0u_9cv.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g0u_nad.sdf -rw-rw-r-- root/root 5437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g0v_jdd.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g0v_nad.sdf -rw-rw-r-- root/root 7464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g0w_9nu.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g0w_nad.sdf -rw-rw-r-- root/root 3794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g10_6dk.sdf -rw-rw-r-- root/root 3636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g11_7h1.sdf -rw-rw-r-- root/root 3794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g17_6dk.sdf -rw-rw-r-- root/root 3636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g1a_7h1.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g1c_9rb.sdf -rw-rw-r-- root/root 2394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g1n_pal.sdf -rw-rw-r-- root/root 1148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g1p_cp.sdf -rw-rw-r-- root/root 2589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g1u_64z.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g2g_equ.sdf -rw-rw-r-- root/root 5744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g2n_6e2.sdf -rw-rw-r-- root/root 4704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g3j_e7t.sdf -rw-rw-r-- root/root 2674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g3m_9jh.sdf -rw-rw-r-- root/root 4385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g3n_x28.sdf -rw-rw-r-- root/root 4251 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g3r_89a.sdf -rw-rw-r-- root/root 2422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g3u_itw.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g3w_c65.sdf -rw-rw-r-- root/root 2060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g42_4tu.sdf -rw-rw-r-- root/root 2298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g43_5im.sdf -rw-rw-r-- root/root 2489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g44_i6g.sdf -rw-rw-r-- root/root 2237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g44_swx.sdf -rw-rw-r-- root/root 2334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g44_ytz.sdf -rw-rw-r-- root/root 1883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g45_a7w.sdf -rw-rw-r-- root/root 2456 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g48_1fl.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g4c_cna.sdf -rw-rw-r-- root/root 3298 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g4m_o82.sdf -rw-rw-r-- root/root 3308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g4n_o83.sdf -rw-rw-r-- root/root 3578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g4o_o80.sdf -rw-rw-r-- root/root 1559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g4q_2hq.sdf -rw-rw-r-- root/root 5187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g4r_lf1.sdf -rw-rw-r-- root/root 5707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g4s_8vi.sdf -rw-rw-r-- root/root 2115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g53_nec.sdf -rw-rw-r-- root/root 3948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g55_3qh.sdf -rw-rw-r-- root/root 1832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g5j_mf8.sdf -rw-rw-r-- root/root 4798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g5w_r8c.sdf -rw-rw-r-- root/root 1788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g65_2aq.sdf -rw-rw-r-- root/root 2058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g66_m5k.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g67_h4b.sdf -rw-rw-r-- root/root 3674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g67_m87.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g68_h4b.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g68_ml6.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g69_h4b.sdf -rw-rw-r-- root/root 3674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g69_m7k.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6a_h4b.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6a_m48.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6b_m48.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6c_h4b.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6c_m48.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6d_h4b.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6d_jht.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6e_h4b.sdf -rw-rw-r-- root/root 3840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6e_xh8.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6f_2sn.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6f_h4b.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6h_h4b.sdf -rw-rw-r-- root/root 3757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6h_m85.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6i_h4b.sdf -rw-rw-r-- root/root 3757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6i_m85.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6j_m94.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6k_h4b.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6k_m94.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6l_h4b.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6l_xeb.sdf -rw-rw-r-- root/root 3497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6m_9m9.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6m_h4b.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6n_8vj.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6n_h4b.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6o_8vj.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6p_8vj.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6q_h4b.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6q_tue.sdf -rw-rw-r-- root/root 2400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6s_rau.sdf -rw-rw-r-- root/root 6309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5g6v_919.sdf -rw-rw-r-- root/root 3326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ggj_pna.sdf -rw-rw-r-- root/root 3326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ggk_mbe.sdf -rw-rw-r-- root/root 3860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ggl_6zc.sdf -rw-rw-r-- root/root 3860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ggn_lec.sdf -rw-rw-r-- root/root 4465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ggz_6tn.sdf -rw-rw-r-- root/root 978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gh0_mzy.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ghi_8dg.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ghj_6u4.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ghm_8dg.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ghn_6u4.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gho_8dg.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ghq_6u4.sdf -rw-rw-r-- root/root 6410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ghv_x5g.sdf -rw-rw-r-- root/root 3484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ghz_ced.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gi5_coa.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gi6_coa.sdf -rw-rw-r-- root/root 1943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gi6_pea.sdf -rw-rw-r-- root/root 2279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gi7_54w.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gi7_coa.sdf -rw-rw-r-- root/root 2481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gi8_7dp.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gi8_coa.sdf -rw-rw-r-- root/root 2665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gi9_7an.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gi9_coa.sdf -rw-rw-r-- root/root 8103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gic_dlc.sdf -rw-rw-r-- root/root 8472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gid_vdp.sdf -rw-rw-r-- root/root 8056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gif_aco.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gif_d1d.sdf -rw-rw-r-- root/root 2481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gig_7dp.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gig_coa.sdf -rw-rw-r-- root/root 2279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gih_54w.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gih_coa.sdf -rw-rw-r-- root/root 2279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gii_54w.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gii_coa.sdf -rw-rw-r-- root/root 5944 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gjd_6v3.sdf -rw-rw-r-- root/root 6993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gjf_6v4.sdf -rw-rw-r-- root/root 6816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gjg_6v5.sdf -rw-rw-r-- root/root 2916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gmd_dp6.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gmm_949.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gmn_949.sdf -rw-rw-r-- root/root 4109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gmu_7lh.sdf -rw-rw-r-- root/root 5064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gmz_6xu.sdf -rw-rw-r-- root/root 4583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gn7_6xz.sdf -rw-rw-r-- root/root 2859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gn9_6y0.sdf -rw-rw-r-- root/root 4559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gon_6zr.sdf -rw-rw-r-- root/root 3508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gp0_gpp.sdf -rw-rw-r-- root/root 7091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5grn_748.sdf -rw-rw-r-- root/root 4706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gst_gdn.sdf -rw-rw-r-- root/root 5176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gsw_5gi.sdf -rw-rw-r-- root/root 7554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gt4_2kb.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gue_ggs.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gv4_pga.sdf -rw-rw-r-- root/root 6318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gwi_n2r.sdf -rw-rw-r-- root/root 6223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gwj_n2s.sdf -rw-rw-r-- root/root 6748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gwk_evp.sdf -rw-rw-r-- root/root 5103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gym_wy5.sdf -rw-rw-r-- root/root 3950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gz2_7bv.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gza_adp.sdf -rw-rw-r-- root/root 2990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5gzz_jaa.sdf -rw-rw-r-- root/root 4595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h08_7wl.sdf -rw-rw-r-- root/root 7126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h09_ooo.sdf -rw-rw-r-- root/root 6632 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h0b_ooq.sdf -rw-rw-r-- root/root 6689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h0e_oos.sdf -rw-rw-r-- root/root 6958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h0g_oou.sdf -rw-rw-r-- root/root 7218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h0h_oov.sdf -rw-rw-r-- root/root 5046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h13_lqa.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h14_lqb.sdf -rw-rw-r-- root/root 4967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h17_lqe.sdf -rw-rw-r-- root/root 4515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h19_lqf.sdf -rw-rw-r-- root/root 2663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h1t_7ff.sdf -rw-rw-r-- root/root 1894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h1u_6kt.sdf -rw-rw-r-- root/root 2248 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h1v_7fu.sdf -rw-rw-r-- root/root 4676 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h22_7ft.sdf -rw-rw-r-- root/root 2532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h24_lqg.sdf -rw-rw-r-- root/root 3075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h25_lqh.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h2u_1n1.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h2z_7gf.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h39_ump.sdf -rw-rw-r-- root/root 6083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h3q_7hf.sdf -rw-rw-r-- root/root 5433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h4d_bbi.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h4d_nad.sdf -rw-rw-r-- root/root 1797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h4i_7hq.sdf -rw-rw-r-- root/root 5424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h4j_fkm.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h6r_fad.sdf -rw-rw-r-- root/root 2717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h73_7l7.sdf -rw-rw-r-- root/root 4618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h7o_7q7.sdf -rw-rw-r-- root/root 3094 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h85_5xs.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h8b_5y2.sdf -rw-rw-r-- root/root 5091 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h8e_5y3.sdf -rw-rw-r-- root/root 5611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h8g_5y4.sdf -rw-rw-r-- root/root 1412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h8m_lmr.sdf -rw-rw-r-- root/root 1412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h8u_lmr.sdf -rw-rw-r-- root/root 3613 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h8x_5xt.sdf -rw-rw-r-- root/root 3967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h9b_an2.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h9o_glc.sdf -rw-rw-r-- root/root 6855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h9p_td2.sdf -rw-rw-r-- root/root 6855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h9q_td2.sdf -rw-rw-r-- root/root 5465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h9r_tgz.sdf -rw-rw-r-- root/root 5465 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5h9s_tgz.sdf -rw-rw-r-- root/root 4633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ha1_rne.sdf -rw-rw-r-- root/root 3230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ha7_wy1.sdf -rw-rw-r-- root/root 4691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hbe_5y6.sdf -rw-rw-r-- root/root 5803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hbh_5y7.sdf -rw-rw-r-- root/root 4763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hbj_5y8.sdf -rw-rw-r-- root/root 3153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hbm_nvp.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hbs_rtl.sdf -rw-rw-r-- root/root 2371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hco_601.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hco_pg4.sdf -rw-rw-r-- root/root 4023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hct_61p.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hct_pg4.sdf -rw-rw-r-- root/root 4083 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hcv_60r.sdf -rw-rw-r-- root/root 4870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hcx_60b.sdf -rw-rw-r-- root/root 6299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hcy_60d.sdf -rw-rw-r-- root/root 6548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hcz_60e.sdf -rw-rw-r-- root/root 4615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hd0_60y.sdf -rw-rw-r-- root/root 7015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hd4_38z.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hd4_pg4.sdf -rw-rw-r-- root/root 7015 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hd7_38z.sdf -rw-rw-r-- root/root 5725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hdb_5yb.sdf -rw-rw-r-- root/root 4968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hdu_60w.sdf -rw-rw-r-- root/root 4319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hdv_60v.sdf -rw-rw-r-- root/root 4596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hdx_60u.sdf -rw-rw-r-- root/root 5442 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5he0_453.sdf -rw-rw-r-- root/root 5972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5he1_zs2.sdf -rw-rw-r-- root/root 6207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5he2_f0s.sdf -rw-rw-r-- root/root 6281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5he3_ff1.sdf -rw-rw-r-- root/root 4497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5he4_60t.sdf -rw-rw-r-- root/root 4419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5he5_60s.sdf -rw-rw-r-- root/root 4497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5he7_60x.sdf -rw-rw-r-- root/root 4720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hes_032.sdf -rw-rw-r-- root/root 4948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hex_604.sdf -rw-rw-r-- root/root 4752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hf2_u75.sdf -rw-rw-r-- root/root 5670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hfu_603.sdf -rw-rw-r-- root/root 3753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hg1_62c.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hg1_bg6.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hgu_plm.sdf -rw-rw-r-- root/root 2066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hh4_60m.sdf -rw-rw-r-- root/root 2066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hh5_60m.sdf -rw-rw-r-- root/root 2160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hh6_60n.sdf -rw-rw-r-- root/root 4056 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hht_tdp.sdf -rw-rw-r-- root/root 5984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hhw_60o.sdf -rw-rw-r-- root/root 4441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hi2_bax.sdf -rw-rw-r-- root/root 7644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hi3_63o.sdf -rw-rw-r-- root/root 7975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hi4_63p.sdf -rw-rw-r-- root/root 6995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hi5_63q.sdf -rw-rw-r-- root/root 5767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hi7_62x.sdf -rw-rw-r-- root/root 4935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hia_ypg.sdf -rw-rw-r-- root/root 4125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hib_63m.sdf -rw-rw-r-- root/root 4610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hic_63n.sdf -rw-rw-r-- root/root 5387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hid_b1e.sdf -rw-rw-r-- root/root 5068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hie_p06.sdf -rw-rw-r-- root/root 5020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hin_1kl.sdf -rw-rw-r-- root/root 2055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hio_61m.sdf -rw-rw-r-- root/root 2256 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hip_61o.sdf -rw-rw-r-- root/root 2162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hiq_60q.sdf -rw-rw-r-- root/root 1430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5his_60p.sdf -rw-rw-r-- root/root 2643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hj5_f6r.sdf -rw-rw-r-- root/root 3620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hjo_xd3.sdf -rw-rw-r-- root/root 6283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hjp_668.sdf -rw-rw-r-- root/root 2115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hjr_5gf.sdf -rw-rw-r-- root/root 6283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hjs_668.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hjx_cap.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hjy_cap.sdf -rw-rw-r-- root/root 3912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hk1_61w.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hk2_61v.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hk4_cap.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hkf_prp.sdf -rw-rw-r-- root/root 3490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hki_6zj.sdf -rw-rw-r-- root/root 3523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hkm_61y.sdf -rw-rw-r-- root/root 2363 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hko_62w.sdf -rw-rw-r-- root/root 5877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hl1_63j.sdf -rw-rw-r-- root/root 4819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hlm_b9f.sdf -rw-rw-r-- root/root 4606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hln_65c.sdf -rw-rw-r-- root/root 4204 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hlp_65a.sdf -rw-rw-r-- root/root 1815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hlr_pg0.sdf -rw-rw-r-- root/root 3889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hls_62g.sdf -rw-rw-r-- root/root 6039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hlw_62e.sdf -rw-rw-r-- root/root 8148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hmh_62r.sdf -rw-rw-r-- root/root 7702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hmi_62t.sdf -rw-rw-r-- root/root 7969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hmk_62q.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hml_b3p.sdf -rw-rw-r-- root/root 3126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hmw_lnw.sdf -rw-rw-r-- root/root 2864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hmx_lnx.sdf -rw-rw-r-- root/root 3405 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hmy_lny.sdf -rw-rw-r-- root/root 3852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hmz_lnz.sdf -rw-rw-r-- root/root 2681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hn0_lnn.sdf -rw-rw-r-- root/root 4304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hnb_62m.sdf -rw-rw-r-- root/root 2437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hng_62o.sdf -rw-rw-r-- root/root 3388 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hnt_qap.sdf -rw-rw-r-- root/root 3775 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hnu_65d.sdf -rw-rw-r-- root/root 2140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ho7_63l.sdf -rw-rw-r-- root/root 3394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ho8_63e.sdf -rw-rw-r-- root/root 5624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hoa_63k.sdf -rw-rw-r-- root/root 5624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hor_63k.sdf -rw-rw-r-- root/root 3181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hpb_63w.sdf -rw-rw-r-- root/root 1939 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hpw_3cj.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hq8_sah.sdf -rw-rw-r-- root/root 3071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hqe_64b.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hqz_64j.sdf -rw-rw-r-- root/root 6460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hrn_65p.sdf -rw-rw-r-- root/root 2446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hrv_64c.sdf -rw-rw-r-- root/root 2706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hrw_64e.sdf -rw-rw-r-- root/root 2966 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hrx_64f.sdf -rw-rw-r-- root/root 3615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hs1_vor.sdf -rw-rw-r-- root/root 2988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hs3_ki3.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hs3_ump.sdf -rw-rw-r-- root/root 3819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hs6_j3z.sdf -rw-rw-r-- root/root 2921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hsr_63y.sdf -rw-rw-r-- root/root 2589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hss_64z.sdf -rw-rw-r-- root/root 2496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hss_650.sdf -rw-rw-r-- root/root 1815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hss_pg0.sdf -rw-rw-r-- root/root 2921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hsu_63y.sdf -rw-rw-r-- root/root 3845 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ht4_65j.sdf -rw-rw-r-- root/root 3585 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ht5_65h.sdf -rw-rw-r-- root/root 5704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5htb_6l5.sdf -rw-rw-r-- root/root 5621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5htc_66m.sdf -rw-rw-r-- root/root 1300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5htc_66n.sdf -rw-rw-r-- root/root 6601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hti_66l.sdf -rw-rw-r-- root/root 3959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5htz_66j.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hu0_66h.sdf -rw-rw-r-- root/root 4146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hu1_66f.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hu3_adp.sdf -rw-rw-r-- root/root 7168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hu9_66k.sdf -rw-rw-r-- root/root 3535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hui_65n.sdf -rw-rw-r-- root/root 5478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hut_upg.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5huu_g6p.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5huu_udp.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hv9_gsh.sdf -rw-rw-r-- root/root 3443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hvb_65o.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hve_65q.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hvj_anp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hvk_anp.sdf -rw-rw-r-- root/root 1760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hvk_sep.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hvl_udp.sdf -rw-rw-r-- root/root 4326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hvl_vdm.sdf -rw-rw-r-- root/root 4478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hvs_65v.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hvt_nvs.sdf -rw-rw-r-- root/root 5354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hvu_65r.sdf -rw-rw-r-- root/root 5636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hvy_66x.sdf -rw-rw-r-- root/root 2112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hwe_mha.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hwl_gsh.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hwx_mys.sdf -rw-rw-r-- root/root 4334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hx6_65u.sdf -rw-rw-r-- root/root 4106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hx8_66p.sdf -rw-rw-r-- root/root 3098 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hxc_myc.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hxc_olc.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hxe_mys.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hxe_olc.sdf -rw-rw-r-- root/root 7550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hxf_ag7.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hxp_ipr.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hxr_mys.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hxr_olc.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hxt_dst.sdf -rw-rw-r-- root/root 1181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hy1_wdl.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hyk_65w.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hyn_sah.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hyv_tpp.sdf -rw-rw-r-- root/root 4337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hz5_65x.sdf -rw-rw-r-- root/root 4373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hz6_65y.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hz8_65z.sdf -rw-rw-r-- root/root 3073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hz9_5m8.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hzc_65w.sdf -rw-rw-r-- root/root 5661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5hzn_66a.sdf -rw-rw-r-- root/root 4635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i00_afq.sdf -rw-rw-r-- root/root 4895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i02_pk2.sdf -rw-rw-r-- root/root 4834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i09_1ud.sdf -rw-rw-r-- root/root 3052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i0b_67u.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i0h_adp.sdf -rw-rw-r-- root/root 8482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i0l_h27.sdf -rw-rw-r-- root/root 2798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i13_4p9.sdf -rw-rw-r-- root/root 4188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i1q_67c.sdf -rw-rw-r-- root/root 3574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i29_67b.sdf -rw-rw-r-- root/root 5615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i2e_67d.sdf -rw-rw-r-- root/root 6106 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i2f_bs5.sdf -rw-rw-r-- root/root 3921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i2r_67a.sdf -rw-rw-r-- root/root 8407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i2z_v24.sdf -rw-rw-r-- root/root 2505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i3c_ac2.sdf -rw-rw-r-- root/root 7308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i3m_67f.sdf -rw-rw-r-- root/root 1311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i3m_dio.sdf -rw-rw-r-- root/root 4477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i3o_idv.sdf -rw-rw-r-- root/root 4934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i3p_68t.sdf -rw-rw-r-- root/root 4668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i3r_idk.sdf -rw-rw-r-- root/root 1462 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i3t_bu2.sdf -rw-rw-r-- root/root 5574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i3v_68m.sdf -rw-rw-r-- root/root 1789 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i40_67n.sdf -rw-rw-r-- root/root 9290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i43_67m.sdf -rw-rw-r-- root/root 6379 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i46_67o.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i4n_atp.sdf -rw-rw-r-- root/root 7072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i4o_v28.sdf -rw-rw-r-- root/root 4451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i4u_67t.sdf -rw-rw-r-- root/root 5433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i4v_67s.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i5e_tpp.sdf -rw-rw-r-- root/root 2470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i5x_68c.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i5x_pmp.sdf -rw-rw-r-- root/root 3888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i5z_68u.sdf -rw-rw-r-- root/root 3141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i6d_au6.sdf -rw-rw-r-- root/root 5006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i6u_68r.sdf -rw-rw-r-- root/root 2903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i7a_68q.sdf -rw-rw-r-- root/root 2891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i7h_68v.sdf -rw-rw-r-- root/root 2891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i7o_s16.sdf -rw-rw-r-- root/root 3790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i7r_68w.sdf -rw-rw-r-- root/root 4880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i7u_6aj.sdf -rw-rw-r-- root/root 3574 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i7x_67b.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i7y_69g.sdf -rw-rw-r-- root/root 3841 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i83_68y.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i85_pc.sdf -rw-rw-r-- root/root 3852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i86_69a.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i88_69g.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i89_69b.sdf -rw-rw-r-- root/root 3512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i8a_69c.sdf -rw-rw-r-- root/root 4482 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i8b_69f.sdf -rw-rw-r-- root/root 4683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i8g_69e.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i8g_b3p.sdf -rw-rw-r-- root/root 5244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i8p_vq7.sdf -rw-rw-r-- root/root 5691 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i94_69v.sdf -rw-rw-r-- root/root 4625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i96_69q.sdf -rw-rw-r-- root/root 7710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i9i_5hv.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i9v_ags.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i9x_db8.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i9y_1n1.sdf -rw-rw-r-- root/root 5910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5i9z_627.sdf -rw-rw-r-- root/root 5259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ia0_a5b.sdf -rw-rw-r-- root/root 4580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ia1_zzl.sdf -rw-rw-r-- root/root 4618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ia2_l66.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ia3_p17.sdf -rw-rw-r-- root/root 7286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ia4_88z.sdf -rw-rw-r-- root/root 7547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ia5_gv0.sdf -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iar_dtt.sdf -rw-rw-r-- root/root 3803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iaw_t73.sdf -rw-rw-r-- root/root 4312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ibd_ggj.sdf -rw-rw-r-- root/root 4053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ibe_69m.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ibf_69w.sdf -rw-rw-r-- root/root 4148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ibg_69s.sdf -rw-rw-r-- root/root 3972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ibh_69r.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ibi_69u.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ibj_69t.sdf -rw-rw-r-- root/root 2750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ic2_pbg.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ick_fez.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5icm_f45.sdf -rw-rw-r-- root/root 3525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5icp_69z.sdf -rw-rw-r-- root/root 5001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5id7_6a4.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5id7_pge.sdf -rw-rw-r-- root/root 5001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5id9_6a4.sdf -rw-rw-r-- root/root 3785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5idn_6a7.sdf -rw-rw-r-- root/root 4044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5idp_6a6.sdf -rw-rw-r-- root/root 2044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5idz_6bm.sdf -rw-rw-r-- root/root 2552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ied_cts.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iee_noj.sdf -rw-rw-r-- root/root 3232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ief_nbv.sdf -rw-rw-r-- root/root 4875 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ieg_6a9.sdf -rw-rw-r-- root/root 1798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ieq_1ci.sdf -rw-rw-r-- root/root 4739 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iev_r0n.sdf -rw-rw-r-- root/root 4292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iex_6af.sdf -rw-rw-r-- root/root 6835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iez_6al.sdf -rw-rw-r-- root/root 1819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5if2_6b1.sdf -rw-rw-r-- root/root 8100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5if4_6ak.sdf -rw-rw-r-- root/root 1524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5if5_6b0.sdf -rw-rw-r-- root/root 2893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5if7_6ay.sdf -rw-rw-r-- root/root 2078 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5if8_6ax.sdf -rw-rw-r-- root/root 1970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ifb_6av.sdf -rw-rw-r-- root/root 1807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ifc_6ar.sdf -rw-rw-r-- root/root 1808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ifd_6aq.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ifs_adp.sdf -rw-rw-r-- root/root 5530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ifu_gbm.sdf -rw-rw-r-- root/root 4723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ig6_6b3.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5igl_bmf.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5igm_bmf.sdf -rw-rw-r-- root/root 5904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ign_6b2.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ih3_dxe.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ih3_sah.sdf -rw-rw-r-- root/root 2821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ih5_aue.sdf -rw-rw-r-- root/root 2821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ih6_aug.sdf -rw-rw-r-- root/root 1873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ih7_omi.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ih7_pg4.sdf -rw-rw-r-- root/root 4059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ih8_6bj.sdf -rw-rw-r-- root/root 5786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ih9_6bf.sdf -rw-rw-r-- root/root 5243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iha_6be.sdf -rw-rw-r-- root/root 4297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ihc_6bb.sdf -rw-rw-r-- root/root 3176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ihh_6b5.sdf -rw-rw-r-- root/root 2186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ii1_6bl.sdf -rw-rw-r-- root/root 2899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ii2_lu2.sdf -rw-rw-r-- root/root 2822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iid_6bk.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iii_dtp.sdf -rw-rw-r-- root/root 3516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iij_8og.sdf -rw-rw-r-- root/root 3954 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iij_dct.sdf -rw-rw-r-- root/root 4048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iim_dup.sdf -rw-rw-r-- root/root 4048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iin_dup.sdf -rw-rw-r-- root/root 4594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iis_6cb.sdf -rw-rw-r-- root/root 6074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ij8_6bn.sdf -rw-rw-r-- root/root 5430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iji_lfa.sdf -rw-rw-r-- root/root 6658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ijq_5jk.sdf -rw-rw-r-- root/root 2612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ijr_hrg.sdf -rw-rw-r-- root/root 6658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ijs_5jk.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ik0_fpp.sdf -rw-rw-r-- root/root 3479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ik6_cre.sdf -rw-rw-r-- root/root 860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ik6_dpo.sdf -rw-rw-r-- root/root 4194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ik9_fjp.sdf -rw-rw-r-- root/root 860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ika_dpo.sdf -rw-rw-r-- root/root 2731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ikb_kai.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ikh_6bw.sdf -rw-rw-r-- root/root 4659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iki_a9h.sdf -rw-rw-r-- root/root 2788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ikq_jms.sdf -rw-rw-r-- root/root 3028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ikr_id8.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ikt_tlf.sdf -rw-rw-r-- root/root 2795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ikv_flf.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ikw_6bu.sdf -rw-rw-r-- root/root 2647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5il8_6bx.sdf -rw-rw-r-- root/root 3073 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ili_3fx.sdf -rw-rw-r-- root/root 2951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ilj_btb.sdf -rw-rw-r-- root/root 2685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ilw_uri.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ilx_ura.sdf -rw-rw-r-- root/root 2951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ily_btb.sdf -rw-rw-r-- root/root 860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ily_dpo.sdf -rw-rw-r-- root/root 4000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ilz_b3p.sdf -rw-rw-r-- root/root 4950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ime_6bz.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5imp_jf1.sdf -rw-rw-r-- root/root 6937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5imx_cz4.sdf -rw-rw-r-- root/root 3978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5in9_6c0.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5inb_mli.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5io6_d12.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5io7_d12.sdf -rw-rw-r-- root/root 3059 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ioy_6c5.sdf -rw-rw-r-- root/root 3143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ioz_6c4.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ip6_6c9.sdf -rw-rw-r-- root/root 2478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ipa_6c8.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ipc_6ce.sdf -rw-rw-r-- root/root 3423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ipe_6cg.sdf -rw-rw-r-- root/root 4572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ipj_6cd.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ipz_6cc.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5irc_gdp.sdf -rw-rw-r-- root/root 463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5irc_mgf.sdf -rw-rw-r-- root/root 3698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5irq_6d7.sdf -rw-rw-r-- root/root 3698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5irq_7d6.sdf -rw-rw-r-- root/root 5044 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iru_b9p.sdf -rw-rw-r-- root/root 4155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5irv_6d8.sdf -rw-rw-r-- root/root 3404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5irw_d9p.sdf -rw-rw-r-- root/root 1936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5is4_6ly.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5is4_pg4.sdf -rw-rw-r-- root/root 5604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5is5_6cy.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5is6_dxe.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5is6_pg4.sdf -rw-rw-r-- root/root 4538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5is6_sfg.sdf -rw-rw-r-- root/root 3918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5is7_dsh.sdf -rw-rw-r-- root/root 4809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5is8_6d1.sdf -rw-rw-r-- root/root 6599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5is9_6d3.sdf -rw-rw-r-- root/root 5281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isa_6d5.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isa_dxe.sdf -rw-rw-r-- root/root 5188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isb_6cx.sdf -rw-rw-r-- root/root 4996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isc_6d0.sdf -rw-rw-r-- root/root 5525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isd_6cz.sdf -rw-rw-r-- root/root 5684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ise_6d2.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ise_dxe.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ise_pge.sdf -rw-rw-r-- root/root 5350 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isf_6d4.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isf_dxe.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isf_pg4.sdf -rw-rw-r-- root/root 5234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isg_6d6.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isg_dxe.sdf -rw-rw-r-- root/root 4746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ish_765.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ish_dxe.sdf -rw-rw-r-- root/root 3050 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isi_5n5.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isi_dxe.sdf -rw-rw-r-- root/root 1936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isj_6le.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isj_pg4.sdf -rw-rw-r-- root/root 1769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isk_6lz.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isk_pg4.sdf -rw-rw-r-- root/root 3974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isl_mmk.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ism_6dg.sdf -rw-rw-r-- root/root 4537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iso_992.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iso_amp.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iso_stu.sdf -rw-rw-r-- root/root 4752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5isp_u06.sdf -rw-rw-r-- root/root 4752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ist_u06.sdf -rw-rw-r-- root/root 4321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ita_6dc.sdf -rw-rw-r-- root/root 5604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5itd_6cy.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ito_6db.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5itp_6db.sdf -rw-rw-r-- root/root 5694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iu2_6da.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iu4_ola.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iu4_zma.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iu6_7hx.sdf -rw-rw-r-- root/root 4951 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iu7_6dy.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iu7_ola.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iu8_6dz.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iu8_ola.sdf -rw-rw-r-- root/root 5128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iua_6dx.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iua_ola.sdf -rw-rw-r-- root/root 4888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iub_6dv.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iub_ola.sdf -rw-rw-r-- root/root 7241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iug_729.sdf -rw-rw-r-- root/root 6981 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iuh_34y.sdf -rw-rw-r-- root/root 5270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iui_45q.sdf -rw-rw-r-- root/root 7240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iuq_6e1.sdf -rw-rw-r-- root/root 6097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iut_32m.sdf -rw-rw-r-- root/root 12472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iux_pc1.sdf -rw-rw-r-- root/root 6785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iuz_cm5.sdf -rw-rw-r-- root/root 3684 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iv0_6e9.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iv0_coa.sdf -rw-rw-r-- root/root 3967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ivc_6e7.sdf -rw-rw-r-- root/root 2599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ive_6e8.sdf -rw-rw-r-- root/root 3624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ivf_6eb.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ivg_fps.sdf -rw-rw-r-- root/root 4605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ivj_6ed.sdf -rw-rw-r-- root/root 5584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ivq_6eh.sdf -rw-rw-r-- root/root 7212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ivr_6eg.sdf -rw-rw-r-- root/root 2988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ivv_6en.sdf -rw-rw-r-- root/root 2892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ivy_6eo.sdf -rw-rw-r-- root/root 3530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iw0_6ep.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iw4_nad.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iw5_nmn.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iw8_6ec.sdf -rw-rw-r-- root/root 3884 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iwc_6eq.sdf -rw-rw-r-- root/root 2413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iwe_w81.sdf -rw-rw-r-- root/root 4230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iwf_lqt.sdf -rw-rw-r-- root/root 3842 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iwg_iwx.sdf -rw-rw-r-- root/root 2975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iwk_dtb.sdf -rw-rw-r-- root/root 4209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ix0_6ez.sdf -rw-rw-r-- root/root 5435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ixk_6ew.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ixs_6ey.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ixs_nai.sdf -rw-rw-r-- root/root 6853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ixs_txd.sdf -rw-rw-r-- root/root 5139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ixy_gn2.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ixy_nad.sdf -rw-rw-r-- root/root 3793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iyy_r40.sdf -rw-rw-r-- root/root 4650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5iz0_6f1.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j04_pep.sdf -rw-rw-r-- root/root 1780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j0a_hc4.sdf -rw-rw-r-- root/root 6300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j0d_6f9.sdf -rw-rw-r-- root/root 4904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j1a_6f8.sdf -rw-rw-r-- root/root 2580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j1q_cxa.sdf -rw-rw-r-- root/root 2644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j1r_6fg.sdf -rw-rw-r-- root/root 2560 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j1u_p93.sdf -rw-rw-r-- root/root 2346 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j1v_6fd.sdf -rw-rw-r-- root/root 2170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j1w_6fb.sdf -rw-rw-r-- root/root 3664 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j1x_ar5.sdf -rw-rw-r-- root/root 2976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j1y_p87.sdf -rw-rw-r-- root/root 2893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j25_47k.sdf -rw-rw-r-- root/root 4242 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j3j_hl1.sdf -rw-rw-r-- root/root 3234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j3l_6fr.sdf -rw-rw-r-- root/root 3675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j3s_6fq.sdf -rw-rw-r-- root/root 3675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j3z_6fq.sdf -rw-rw-r-- root/root 3289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j42_6fv.sdf -rw-rw-r-- root/root 2909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j47_6jj.sdf -rw-rw-r-- root/root 4297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j48_6fw.sdf -rw-rw-r-- root/root 1799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j4h_1f1.sdf -rw-rw-r-- root/root 2043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j4k_6fz.sdf -rw-rw-r-- root/root 3087 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j4v_6jh.sdf -rw-rw-r-- root/root 3794 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j4y_6jg.sdf -rw-rw-r-- root/root 4157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j5f_6gh.sdf -rw-rw-r-- root/root 4771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j5g_6gf.sdf -rw-rw-r-- root/root 4771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j5h_6gk.sdf -rw-rw-r-- root/root 4511 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j5i_6gm.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j5p_anp.sdf -rw-rw-r-- root/root 5525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j5s_6g3.sdf -rw-rw-r-- root/root 4296 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j5t_6g2.sdf -rw-rw-r-- root/root 5207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j63_g3n.sdf -rw-rw-r-- root/root 6767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j6d_6h5.sdf -rw-rw-r-- root/root 3662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j6s_6ga.sdf -rw-rw-r-- root/root 3586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j79_6ge.sdf -rw-rw-r-- root/root 4334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j7b_6gd.sdf -rw-rw-r-- root/root 7285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j7f_6gg.sdf -rw-rw-r-- root/root 7285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j7g_6gg.sdf -rw-rw-r-- root/root 7124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j7h_6gy.sdf -rw-rw-r-- root/root 2532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j7q_6h2.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j7w_mtx.sdf -rw-rw-r-- root/root 4404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j82_6gv.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j86_6gw.sdf -rw-rw-r-- root/root 5414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j89_6gx.sdf -rw-rw-r-- root/root 2092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j8l_tgj.sdf -rw-rw-r-- root/root 5439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j8o_6gz.sdf -rw-rw-r-- root/root 4427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j8z_fc4.sdf -rw-rw-r-- root/root 4488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j95_6hh.sdf -rw-rw-r-- root/root 4925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j9f_83a.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j9f_gar.sdf -rw-rw-r-- root/root 2228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j9m_6hd.sdf -rw-rw-r-- root/root 2404 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j9n_6h9.sdf -rw-rw-r-- root/root 2488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5j9o_6h8.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ja0_fpp.sdf -rw-rw-r-- root/root 4752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ja3_u06.sdf -rw-rw-r-- root/root 1608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jad_fb2.sdf -rw-rw-r-- root/root 1847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jah_6hq.sdf -rw-rw-r-- root/root 2236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jal_6ho.sdf -rw-rw-r-- root/root 2815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jan_6hp.sdf -rw-rw-r-- root/root 2495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jao_6hx.sdf -rw-rw-r-- root/root 3654 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jap_6hz.sdf -rw-rw-r-- root/root 3322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jar_6hv.sdf -rw-rw-r-- root/root 3311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jas_6hw.sdf -rw-rw-r-- root/root 4185 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jat_6hr.sdf -rw-rw-r-- root/root 5413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jau_6hu.sdf -rw-rw-r-- root/root 3266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jax_6j7.sdf -rw-rw-r-- root/root 4432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jaz_lc5.sdf -rw-rw-r-- root/root 4231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jbi_6j8.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jbq_gdp.sdf -rw-rw-r-- root/root 4231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jc1_6jb.sdf -rw-rw-r-- root/root 5341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jcb_nv4.sdf -rw-rw-r-- root/root 1869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jcm_isd.sdf -rw-rw-r-- root/root 1866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jcn_asc.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jcq_mma.sdf -rw-rw-r-- root/root 4963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jct_6jq.sdf -rw-rw-r-- root/root 5158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jcu_gvx.sdf -rw-rw-r-- root/root 5158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jcw_gvx.sdf -rw-rw-r-- root/root 4393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jd7_6jr.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jdg_mys.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jdh_1pe.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jdh_mys.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jdh_olc.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jdq_olc.sdf -rw-rw-r-- root/root 4010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jeb_6js.sdf -rw-rw-r-- root/root 2147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jei_fwd.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jf1_bb2.sdf -rw-rw-r-- root/root 2732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jf2_sf7.sdf -rw-rw-r-- root/root 2732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jf3_sf5.sdf -rw-rw-r-- root/root 3101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jf4_6jt.sdf -rw-rw-r-- root/root 3101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jf5_7jt.sdf -rw-rw-r-- root/root 2246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jf6_bb4.sdf -rw-rw-r-- root/root 2246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jf7_6ju.sdf -rw-rw-r-- root/root 3877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jf8_pn3.sdf -rw-rw-r-- root/root 4160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jfo_6ka.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jfo_nad.sdf -rw-rw-r-- root/root 8169 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jfp_6kk.sdf -rw-rw-r-- root/root 3205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jfr_6kp.sdf -rw-rw-r-- root/root 4796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jfs_6k0.sdf -rw-rw-r-- root/root 4867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jfv_6k1.sdf -rw-rw-r-- root/root 4785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jfw_6k2.sdf -rw-rw-r-- root/root 5138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jfx_6k4.sdf -rw-rw-r-- root/root 4953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jg0_uc9.sdf -rw-rw-r-- root/root 8429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jg1_6kr.sdf -rw-rw-r-- root/root 5199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jgd_6kd.sdf -rw-rw-r-- root/root 2796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jgi_aag.sdf -rw-rw-r-- root/root 3320 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jgm_810.sdf -rw-rw-r-- root/root 3414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jgo_6jx.sdf -rw-rw-r-- root/root 3440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jgq_6jy.sdf -rw-rw-r-- root/root 4859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jha_6k7.sdf -rw-rw-r-- root/root 4782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jhb_6k5.sdf -rw-rw-r-- root/root 4028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jhh_ra0.sdf -rw-rw-r-- root/root 4063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jhk_6k8.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jhu_6ko.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ji6_6kn.sdf -rw-rw-r-- root/root 1894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ji8_6kt.sdf -rw-rw-r-- root/root 2153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jib_oia.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jic_adp.sdf -rw-rw-r-- root/root 5090 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jic_n7e.sdf -rw-rw-r-- root/root 2506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jid_8pf.sdf -rw-rw-r-- root/root 3266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jix_6j7.sdf -rw-rw-r-- root/root 4297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jiz_6fw.sdf -rw-rw-r-- root/root 5430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jje_lfa.sdf -rw-rw-r-- root/root 4959 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jjr_68e.sdf -rw-rw-r-- root/root 5439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jjs_6l2.sdf -rw-rw-r-- root/root 2764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jk5_hbi.sdf -rw-rw-r-- root/root 4522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jkg_6lf.sdf -rw-rw-r-- root/root 4246 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jkv_asd.sdf -rw-rw-r-- root/root 4413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jkw_tes.sdf -rw-rw-r-- root/root 7924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jlc_1yn.sdf -rw-rw-r-- root/root 3909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jlj_6l8.sdf -rw-rw-r-- root/root 5234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jm5_6lg.sdf -rw-rw-r-- root/root 2831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jmn_d10.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jmn_d12.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jmn_ete.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jmn_hex.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jmn_lmt.sdf -rw-rw-r-- root/root 2311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jmn_oct.sdf -rw-rw-r-- root/root 11403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jmn_pty.sdf -rw-rw-r-- root/root 3888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jmp_lc7.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jmv_amp.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jmw_l50.sdf -rw-rw-r-- root/root 1889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jmx_dz5.sdf -rw-rw-r-- root/root 4797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jmy_6ld.sdf -rw-rw-r-- root/root 1793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jn8_azm.sdf -rw-rw-r-- root/root 2417 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jn9_ezl.sdf -rw-rw-r-- root/root 3923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jna_tor.sdf -rw-rw-r-- root/root 2039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jnc_6lh.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jnl_l54.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jnn_6lm.sdf -rw-rw-r-- root/root 4906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jnw_6lj.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jo0_l56.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jo1_6lm.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jo2_a8s.sdf -rw-rw-r-- root/root 3793 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jo3_6lk.sdf -rw-rw-r-- root/root 6014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jog_6lt.sdf -rw-rw-r-- root/root 4054 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5joh_6m3.sdf -rw-rw-r-- root/root 1856 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5joy_6lw.sdf -rw-rw-r-- root/root 5148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jq7_t0r.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jqb_ibp.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jqx_3pg.sdf -rw-rw-r-- root/root 1976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jr3_4mu.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jr3_sah.sdf -rw-rw-r-- root/root 5230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jrq_6n9.sdf -rw-rw-r-- root/root 5624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jrs_6mv.sdf -rw-rw-r-- root/root 6146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5js3_6mg.sdf -rw-rw-r-- root/root 8426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jsg_6p9.sdf -rw-rw-r-- root/root 9844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jsj_6pd.sdf -rw-rw-r-- root/root 11107 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jsm_6nb.sdf -rw-rw-r-- root/root 3567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jsq_6ms.sdf -rw-rw-r-- root/root 6145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jss_6ng.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jsv_6mq.sdf -rw-rw-r-- root/root 5386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jsw_6mm.sdf -rw-rw-r-- root/root 5478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jsx_upg.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jt0_udp.sdf -rw-rw-r-- root/root 3553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jt0_xdx.sdf -rw-rw-r-- root/root 11377 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jt2_6nc.sdf -rw-rw-r-- root/root 2490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jt5_6nk.sdf -rw-rw-r-- root/root 2406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jt6_6n1.sdf -rw-rw-r-- root/root 2490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jt7_6n2.sdf -rw-rw-r-- root/root 5885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jt9_7af.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jtb_ola.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jtb_zma.sdf -rw-rw-r-- root/root 1621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jtc_pd2.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jum_dcp.sdf -rw-rw-r-- root/root 4317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jun_6nu.sdf -rw-rw-r-- root/root 4210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jur_6ns.sdf -rw-rw-r-- root/root 4382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5juw_6nr.sdf -rw-rw-r-- root/root 4706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5juz_yl4.sdf -rw-rw-r-- root/root 4516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jv0_yl5.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jv1_yl6.sdf -rw-rw-r-- root/root 3159 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jv2_6o3.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jv5_5gp.sdf -rw-rw-r-- root/root 3956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jvd_6nl.sdf -rw-rw-r-- root/root 5625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jvi_6qc.sdf -rw-rw-r-- root/root 1422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jvl_pep.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jvz_bog.sdf -rw-rw-r-- root/root 2855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jvz_flp.sdf -rw-rw-r-- root/root 12892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jwm_6on.sdf -rw-rw-r-- root/root 5625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jxn_6nn.sdf -rw-rw-r-- root/root 4314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jxq_6ok.sdf -rw-rw-r-- root/root 2409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jxz_isc.sdf -rw-rw-r-- root/root 6191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jy3_6ox.sdf -rw-rw-r-- root/root 2409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jy4_isc.sdf -rw-rw-r-- root/root 2411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jy8_isj.sdf -rw-rw-r-- root/root 5680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jyp_zbs.sdf -rw-rw-r-- root/root 5147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jyy_6py.sdf -rw-rw-r-- root/root 1640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jz9_6or.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jza_oga.sdf -rw-rw-r-- root/root 1629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jzb_6ot.sdf -rw-rw-r-- root/root 3967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jzj_an2.sdf -rw-rw-r-- root/root 7397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jzn_gui.sdf -rw-rw-r-- root/root 1547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5jzs_fgz.sdf -rw-rw-r-- root/root 6889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k00_6pv.sdf -rw-rw-r-- root/root 2603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k01_6ow.sdf -rw-rw-r-- root/root 2603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k03_6p4.sdf -rw-rw-r-- root/root 2874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k05_6p5.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k06_myr.sdf -rw-rw-r-- root/root 3403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k0b_6ps.sdf -rw-rw-r-- root/root 3663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k0c_6oz.sdf -rw-rw-r-- root/root 3663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k0e_6oz.sdf -rw-rw-r-- root/root 3757 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k0f_6p1.sdf -rw-rw-r-- root/root 3840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k0g_6pm.sdf -rw-rw-r-- root/root 5665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k0i_6pw.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k0i_gsh.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k0j_6p2.sdf -rw-rw-r-- root/root 6239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k0k_6q1.sdf -rw-rw-r-- root/root 6216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k0m_6pu.sdf -rw-rw-r-- root/root 3947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k0n_6p0.sdf -rw-rw-r-- root/root 4039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k0s_0ou.sdf -rw-rw-r-- root/root 4181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k0t_415.sdf -rw-rw-r-- root/root 6130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k0x_k0x.sdf -rw-rw-r-- root/root 5470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k13_6q7.sdf -rw-rw-r-- root/root 3646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k14_ib1.sdf -rw-rw-r-- root/root 4306 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k1i_6pt.sdf -rw-rw-r-- root/root 5942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k1v_6px.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k2a_olc.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k2a_zma.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k2c_olc.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k2c_zma.sdf -rw-rw-r-- root/root 4138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k32_6q2.sdf -rw-rw-r-- root/root 5690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k3n_6q6.sdf -rw-rw-r-- root/root 3947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k3s_tp9.sdf -rw-rw-r-- root/root 7030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k3y_6q4.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k4i_6qb.sdf -rw-rw-r-- root/root 1608 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k4k_sv7.sdf -rw-rw-r-- root/root 2601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k4l_6qn.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k4p_sor.sdf -rw-rw-r-- root/root 3130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k51_6qd.sdf -rw-rw-r-- root/root 6191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k5e_6qs.sdf -rw-rw-r-- root/root 3782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k5n_6qh.sdf -rw-rw-r-- root/root 4637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k6e_6qp.sdf -rw-rw-r-- root/root 4164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k6j_6qq.sdf -rw-rw-r-- root/root 4124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k6r_tzd.sdf -rw-rw-r-- root/root 4863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k72_6qy.sdf -rw-rw-r-- root/root 5787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k74_6qw.sdf -rw-rw-r-- root/root 4178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k75_6qx.sdf -rw-rw-r-- root/root 5334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k76_6r1.sdf -rw-rw-r-- root/root 6220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k7g_6r0.sdf -rw-rw-r-- root/root 6220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k7i_6qz.sdf -rw-rw-r-- root/root 3931 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k7k_6rj.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k87_mli.sdf -rw-rw-r-- root/root 1832 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k8n_6r6.sdf -rw-rw-r-- root/root 1749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k8o_6r7.sdf -rw-rw-r-- root/root 2092 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k8p_6r8.sdf -rw-rw-r-- root/root 3859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k8v_6re.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k8v_dxe.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k8w_dxe.sdf -rw-rw-r-- root/root 4120 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k8w_gjv.sdf -rw-rw-r-- root/root 3953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k8x_6zh.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k8x_dxe.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k8x_m2m.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k8x_pg4.sdf -rw-rw-r-- root/root 4581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k9c_mlj.sdf -rw-rw-r-- root/root 8356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k9d_ce9.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5k9r_6rc.sdf -rw-rw-r-- root/root 5673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kae_6rf.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kam_imp.sdf -rw-rw-r-- root/root 7290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kao_g43.sdf -rw-rw-r-- root/root 2870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kap_6rh.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kas_pc.sdf -rw-rw-r-- root/root 4219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kb3_4ct.sdf -rw-rw-r-- root/root 5704 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kbq_ipv.sdf -rw-rw-r-- root/root 4504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kbr_ipw.sdf -rw-rw-r-- root/root 4208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kby_6rl.sdf -rw-rw-r-- root/root 6942 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kbz_3b2.sdf -rw-rw-r-- root/root 4795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kcc_ob1.sdf -rw-rw-r-- root/root 5055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kcd_ob2.sdf -rw-rw-r-- root/root 5066 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kce_ob3.sdf -rw-rw-r-- root/root 5020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kcf_ob5.sdf -rw-rw-r-- root/root 6555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kcp_naj.sdf -rw-rw-r-- root/root 1545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kcp_pfb.sdf -rw-rw-r-- root/root 5326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kct_ob7.sdf -rw-rw-r-- root/root 5230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kcv_6s1.sdf -rw-rw-r-- root/root 5348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kcw_ob9.sdf -rw-rw-r-- root/root 4490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kcx_6s3.sdf -rw-rw-r-- root/root 879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kcz_etf.sdf -rw-rw-r-- root/root 6555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kcz_naj.sdf -rw-rw-r-- root/root 3610 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kde_6rt.sdf -rw-rw-r-- root/root 3916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kdf_6ru.sdf -rw-rw-r-- root/root 3886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kdh_6rx.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kdo_gdp.sdf -rw-rw-r-- root/root 2695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kdq_koh.sdf -rw-rw-r-- root/root 5766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kdr_yt5.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ke0_6s9.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ke2_6s4.sdf -rw-rw-r-- root/root 3457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ke3_6s5.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kfm_stp.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kfr_stp.sdf -rw-rw-r-- root/root 2155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kh3_6u6.sdf -rw-rw-r-- root/root 4641 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kh4_fpp.sdf -rw-rw-r-- root/root 6545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kh5_6tc.sdf -rw-rw-r-- root/root 2686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kh7_6t7.sdf -rw-rw-r-- root/root 3102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kh9_6t5.sdf -rw-rw-r-- root/root 6144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5khm_xnh.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5khp_7k9.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5khw_adp.sdf -rw-rw-r-- root/root 3387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5khx_6te.sdf -rw-rw-r-- root/root 8345 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kic_4ol.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kid_7k9.sdf -rw-rw-r-- root/root 3333 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kir_rcx.sdf -rw-rw-r-- root/root 5238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kit_6ta.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kiy_anp.sdf -rw-rw-r-- root/root 5681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kj2_6tf.sdf -rw-rw-r-- root/root 6555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kjc_naj.sdf -rw-rw-r-- root/root 1545 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kjc_pfb.sdf -rw-rw-r-- root/root 879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kjf_etf.sdf -rw-rw-r-- root/root 6555 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kjf_naj.sdf -rw-rw-r-- root/root 6517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kjk_6t1.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kjk_sam.sdf -rw-rw-r-- root/root 7161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kjm_6tm.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kjm_sam.sdf -rw-rw-r-- root/root 7214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kjn_6tl.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kjn_sam.sdf -rw-rw-r-- root/root 9147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kjt_wca.sdf -rw-rw-r-- root/root 3589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kju_6to.sdf -rw-rw-r-- root/root 2911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kk4_44e.sdf -rw-rw-r-- root/root 4348 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kk7_smd.sdf -rw-rw-r-- root/root 2235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kkb_1ps.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kkc_6v0.sdf -rw-rw-r-- root/root 6554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kkn_6u3.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kks_6u1.sdf -rw-rw-r-- root/root 5909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kkt_6u2.sdf -rw-rw-r-- root/root 3797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kky_6ud.sdf -rw-rw-r-- root/root 5310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kly_6ur.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5km0_imp.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5km1_5gp.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5km2_c5p.sdf -rw-rw-r-- root/root 3142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5km3_u5p.sdf -rw-rw-r-- root/root 3151 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5km4_iu.sdf -rw-rw-r-- root/root 4061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5km5_tr5.sdf -rw-rw-r-- root/root 5310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5km6_6us.sdf -rw-rw-r-- root/root 2929 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5km8_l8p.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5km9_adn.sdf -rw-rw-r-- root/root 4116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kma_777.sdf -rw-rw-r-- root/root 6026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kmb_6ut.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kmi_6ue.sdf -rw-rw-r-- root/root 3867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kmj_6uf.sdf -rw-rw-r-- root/root 3801 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kmk_6ug.sdf -rw-rw-r-- root/root 3956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kml_6uh.sdf -rw-rw-r-- root/root 4139 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kmm_6uj.sdf -rw-rw-r-- root/root 4133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kmn_6uk.sdf -rw-rw-r-- root/root 3500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kmo_6um.sdf -rw-rw-r-- root/root 5689 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5knj_6ux.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5knp_6w7.sdf -rw-rw-r-- root/root 3414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5knq_6w8.sdf -rw-rw-r-- root/root 4806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5knr_3l5.sdf -rw-rw-r-- root/root 4464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kns_3l7.sdf -rw-rw-r-- root/root 4005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5knt_6wb.sdf -rw-rw-r-- root/root 4369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5knu_6wa.sdf -rw-rw-r-- root/root 4536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5knv_6w9.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5knx_6wc.sdf -rw-rw-r-- root/root 4935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kny_ypg.sdf -rw-rw-r-- root/root 3878 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ko1_6uy.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kok_s9t.sdf -rw-rw-r-- root/root 5828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5koq_6vr.sdf -rw-rw-r-- root/root 7399 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kos_6vs.sdf -rw-rw-r-- root/root 6903 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kot_6vu.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kp1_equ.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kp3_equ.sdf -rw-rw-r-- root/root 4156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kp4_6vw.sdf -rw-rw-r-- root/root 5036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kpn_6wx.sdf -rw-rw-r-- root/root 4776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kpo_6wy.sdf -rw-rw-r-- root/root 5148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kpp_6wz.sdf -rw-rw-r-- root/root 5375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kpq_6x2.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kpr_anp.sdf -rw-rw-r-- root/root 2880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kpr_pau.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kpt_anp.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kpz_adp.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kpz_paz.sdf -rw-rw-r-- root/root 3696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kq5_6vt.sdf -rw-rw-r-- root/root 3967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kq8_an2.sdf -rw-rw-r-- root/root 11690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kqd_pkz.sdf -rw-rw-r-- root/root 3270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kqg_6vx.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kql_6vy.sdf -rw-rw-r-- root/root 6759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kr1_017.sdf -rw-rw-r-- root/root 8866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kr2_roc.sdf -rw-rw-r-- root/root 2590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kr7_6x9.sdf -rw-rw-r-- root/root 4834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5krh_6wn.sdf -rw-rw-r-- root/root 5166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kri_6wm.sdf -rw-rw-r-- root/root 5267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5krj_6wp.sdf -rw-rw-r-- root/root 3885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5krk_6wq.sdf -rw-rw-r-- root/root 4600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kro_6ww.sdf -rw-rw-r-- root/root 5565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ksi_s1p.sdf -rw-rw-r-- root/root 5565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ksj_s1p.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ksw_fmn.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ksx_7am.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kt2_0kx.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kt3_0kx.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kt4_0kx.sdf -rw-rw-r-- root/root 4130 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kt5_0kx.sdf -rw-rw-r-- root/root 1587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ktn_13p.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kto_ntm.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ktp_itn.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ktq_dcp.sdf -rw-rw-r-- root/root 1149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ktr_mae.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kts_ciz.sdf -rw-rw-r-- root/root 1412 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ktt_lmr.sdf -rw-rw-r-- root/root 3227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ktu_6xb.sdf -rw-rw-r-- root/root 5250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ktw_6xg.sdf -rw-rw-r-- root/root 5119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ktx_6xh.sdf -rw-rw-r-- root/root 5119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ku3_6xh.sdf -rw-rw-r-- root/root 2052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ku6_mzm.sdf -rw-rw-r-- root/root 5035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ku8_6xk.sdf -rw-rw-r-- root/root 7319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ku9_6xj.sdf -rw-rw-r-- root/root 6672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kuk_dmu.sdf -rw-rw-r-- root/root 5953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kup_6xl.sdf -rw-rw-r-- root/root 4983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kv8_6y6.sdf -rw-rw-r-- root/root 5278 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kv9_i57.sdf -rw-rw-r-- root/root 4126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kwh_6xt.sdf -rw-rw-r-- root/root 4887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kww_6ya.sdf -rw-rw-r-- root/root 3614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kx7_6yd.sdf -rw-rw-r-- root/root 4240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kx8_6ye.sdf -rw-rw-r-- root/root 4616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kxa_6y7.sdf -rw-rw-r-- root/root 5031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kya_6y4.sdf -rw-rw-r-- root/root 4746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kyj_6y8.sdf -rw-rw-r-- root/root 5397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kyv_slu.sdf -rw-rw-r-- root/root 4822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kz0_6yl.sdf -rw-rw-r-- root/root 4400 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kz7_6z2.sdf -rw-rw-r-- root/root 4509 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kz8_6z5.sdf -rw-rw-r-- root/root 3774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kzd_rcj.sdf -rw-rw-r-- root/root 4777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kzi_6yn.sdf -rw-rw-r-- root/root 3604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kzq_6ys.sdf -rw-rw-r-- root/root 2105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5kzw_glc.sdf -rw-rw-r-- root/root 6024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l01_6z4.sdf -rw-rw-r-- root/root 2673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l03_6zb.sdf -rw-rw-r-- root/root 3938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l0b_6zm.sdf -rw-rw-r-- root/root 5413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l0e_6zn.sdf -rw-rw-r-- root/root 4869 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l0k_6zo.sdf -rw-rw-r-- root/root 3283 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l0n_6za.sdf -rw-rw-r-- root/root 5673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l11_rjw.sdf -rw-rw-r-- root/root 3477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l13_6ze.sdf -rw-rw-r-- root/root 3681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l1i_6og.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l1i_dcp.sdf -rw-rw-r-- root/root 4308 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l1j_1fz.sdf -rw-rw-r-- root/root 3681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l1j_6og.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l1o_7pf.sdf -rw-rw-r-- root/root 3319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l1p_7pt.sdf -rw-rw-r-- root/root 3651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l1q_7df.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l1r_bcn.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l1s_7pf.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l1t_7pf.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l1u_7pf.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l1v_7pf.sdf -rw-rw-r-- root/root 3485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l1w_7pf.sdf -rw-rw-r-- root/root 10661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l2j_6ul.sdf -rw-rw-r-- root/root 11582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l2j_70e.sdf -rw-rw-r-- root/root 10661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l2k_6ul.sdf -rw-rw-r-- root/root 11582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l2k_70e.sdf -rw-rw-r-- root/root 4729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l2m_6zy.sdf -rw-rw-r-- root/root 3687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l2n_6zu.sdf -rw-rw-r-- root/root 6257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l2s_6zv.sdf -rw-rw-r-- root/root 5623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l2t_6zz.sdf -rw-rw-r-- root/root 7454 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l2y_70d.sdf -rw-rw-r-- root/root 7974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l2z_70c.sdf -rw-rw-r-- root/root 7384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l30_70a.sdf -rw-rw-r-- root/root 2145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l3a_6dp.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l3b_fad.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l3c_fad.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l3d_fad.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l3e_e11.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l3e_fad.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l3f_fad.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l3g_fad.sdf -rw-rw-r-- root/root 3117 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l3j_6g9.sdf -rw-rw-r-- root/root 2988 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l42_6j6.sdf -rw-rw-r-- root/root 2703 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l4i_6j3.sdf -rw-rw-r-- root/root 2894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l4n_6qt.sdf -rw-rw-r-- root/root 3629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l4q_lkb.sdf -rw-rw-r-- root/root 2448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l4s_6kx.sdf -rw-rw-r-- root/root 3925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l4t_6ls.sdf -rw-rw-r-- root/root 3935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l4u_6ks.sdf -rw-rw-r-- root/root 3925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l4v_6kw.sdf -rw-rw-r-- root/root 3935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l4w_6kh.sdf -rw-rw-r-- root/root 3925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l4x_6ku.sdf -rw-rw-r-- root/root 3935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l4y_6k3.sdf -rw-rw-r-- root/root 6491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l57_6n3.sdf -rw-rw-r-- root/root 6750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l58_6mx.sdf -rw-rw-r-- root/root 4341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l6w_ags.sdf -rw-rw-r-- root/root 5395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l6x_6sg.sdf -rw-rw-r-- root/root 5101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l72_6pf.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l7d_clr.sdf -rw-rw-r-- root/root 3854 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l7e_6q0.sdf -rw-rw-r-- root/root 4857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l7g_6qe.sdf -rw-rw-r-- root/root 4575 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l7h_6qg.sdf -rw-rw-r-- root/root 3792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l7i_vis.sdf -rw-rw-r-- root/root 3049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l7p_1pe.sdf -rw-rw-r-- root/root 3688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l7p_buu.sdf -rw-rw-r-- root/root 3511 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l7t_6qj.sdf -rw-rw-r-- root/root 3354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l7w_6qu.sdf -rw-rw-r-- root/root 3261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l7y_6qo.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l8d_6rp.sdf -rw-rw-r-- root/root 3272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l8d_edt.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l8i_p33.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l8i_pge.sdf -rw-rw-r-- root/root 6161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l8o_chd.sdf -rw-rw-r-- root/root 2932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l8t_6rr.sdf -rw-rw-r-- root/root 3747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l8u_6rs.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l8u_pge.sdf -rw-rw-r-- root/root 2825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l96_6rz.sdf -rw-rw-r-- root/root 3192 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l97_6rw.sdf -rw-rw-r-- root/root 3487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l98_6ry.sdf -rw-rw-r-- root/root 3144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l99_6s0.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l9r_oga.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l9r_pg4.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l9v_oga.sdf -rw-rw-r-- root/root 4521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5l9z_gux.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5las_oga.sdf -rw-rw-r-- root/root 4825 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lav_6sk.sdf -rw-rw-r-- root/root 5321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5law_6sj.sdf -rw-rw-r-- root/root 5579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lay_6ss.sdf -rw-rw-r-- root/root 5979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5laz_6st.sdf -rw-rw-r-- root/root 2621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lb6_un9.sdf -rw-rw-r-- root/root 3416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lba_6sv.sdf -rw-rw-r-- root/root 2621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lbb_un9.sdf -rw-rw-r-- root/root 2621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lbc_un9.sdf -rw-rw-r-- root/root 2621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lbe_un9.sdf -rw-rw-r-- root/root 2621 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lbf_un9.sdf -rw-rw-r-- root/root 4321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lbq_767.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lbq_fad.sdf -rw-rw-r-- root/root 3122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lbt_6t0.sdf -rw-rw-r-- root/root 2949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lbu_c09.sdf -rw-rw-r-- root/root 3817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lbw_v0l.sdf -rw-rw-r-- root/root 5646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lby_6t2.sdf -rw-rw-r-- root/root 6074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lbz_6t3.sdf -rw-rw-r-- root/root 2269 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ldg_it9.sdf -rw-rw-r-- root/root 3744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lfa_dlz.sdf -rw-rw-r-- root/root 7361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lga_6vh.sdf -rw-rw-r-- root/root 3040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lgb_md2.sdf -rw-rw-r-- root/root 5760 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lge_6vn.sdf -rw-rw-r-- root/root 3414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lgn_6w0.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lgn_fad.sdf -rw-rw-r-- root/root 6595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lgo_6vz.sdf -rw-rw-r-- root/root 1657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lgp_lpd.sdf -rw-rw-r-- root/root 1657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lgr_lpd.sdf -rw-rw-r-- root/root 3237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lgr_qvr.sdf -rw-rw-r-- root/root 3237 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lgs_qvr.sdf -rw-rw-r-- root/root 5741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lgt_6w3.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lgt_fad.sdf -rw-rw-r-- root/root 5460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lgu_6w1.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lgu_fad.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lgw_n9s.sdf -rw-rw-r-- root/root 7058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lh8_6wh.sdf -rw-rw-r-- root/root 5187 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lhb_6wj.sdf -rw-rw-r-- root/root 5741 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lhg_6x3.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lhg_fad.sdf -rw-rw-r-- root/root 6355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lhh_6x0.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lhh_fad.sdf -rw-rw-r-- root/root 6355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lhi_6x5.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lhi_fad.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5li1_anp.sdf -rw-rw-r-- root/root 3558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5li3_9rb.sdf -rw-rw-r-- root/root 4784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5li6_6xf.sdf -rw-rw-r-- root/root 4342 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5li7_6xd.sdf -rw-rw-r-- root/root 5829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5li8_kkk.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5li9_acp.sdf -rw-rw-r-- root/root 5241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lia_6xn.sdf -rw-rw-r-- root/root 6534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lif_6xo.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lih_adp.sdf -rw-rw-r-- root/root 3332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lik_w8x.sdf -rw-rw-r-- root/root 3341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5liu_388.sdf -rw-rw-r-- root/root 3375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5liw_1wx.sdf -rw-rw-r-- root/root 3361 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lix_mk4.sdf -rw-rw-r-- root/root 3375 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5liy_dqp.sdf -rw-rw-r-- root/root 6616 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lj0_6xx.sdf -rw-rw-r-- root/root 6178 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lj2_6xw.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ljb_rtl.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ljc_rtl.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ljd_rtl.sdf -rw-rw-r-- root/root 4540 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lje_rtl.sdf -rw-rw-r-- root/root 4309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ljg_plm.sdf -rw-rw-r-- root/root 5095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ljj_ad5.sdf -rw-rw-r-- root/root 3594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ljq_anv.sdf -rw-rw-r-- root/root 3590 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ljt_a6n.sdf -rw-rw-r-- root/root 5424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lkj_6yb.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lkj_dxe.sdf -rw-rw-r-- root/root 4974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lkr_6yc.sdf -rw-rw-r-- root/root 8551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lkt_bco.sdf -rw-rw-r-- root/root 8285 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lkx_1vu.sdf -rw-rw-r-- root/root 5392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lkz_coo.sdf -rw-rw-r-- root/root 3250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ll5_6yh.sdf -rw-rw-r-- root/root 3261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ll9_6yq.sdf -rw-rw-r-- root/root 3261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lla_6yq.sdf -rw-rw-r-- root/root 3779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5llc_v26.sdf -rw-rw-r-- root/root 3960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lle_v51.sdf -rw-rw-r-- root/root 2857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5llh_v49.sdf -rw-rw-r-- root/root 2516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lln_3tv.sdf -rw-rw-r-- root/root 4240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5llo_5ef.sdf -rw-rw-r-- root/root 4500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5llp_6z9.sdf -rw-rw-r-- root/root 4656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lls_6z8.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lma_6zg.sdf -rw-rw-r-- root/root 4722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lmb_6zf.sdf -rw-rw-r-- root/root 3863 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lmd_rc4.sdf -rw-rw-r-- root/root 4808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lmk_6zk.sdf -rw-rw-r-- root/root 6808 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ln2_6zt.sdf -rw-rw-r-- root/root 5732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lny_70k.sdf -rw-rw-r-- root/root 5885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lnz_70z.sdf -rw-rw-r-- root/root 5118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lo1_70l.sdf -rw-rw-r-- root/root 5011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lo5_70m.sdf -rw-rw-r-- root/root 6206 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lo6_70o.sdf -rw-rw-r-- root/root 7603 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lp1_71h.sdf -rw-rw-r-- root/root 4913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lp6_71p.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lpb_adp.sdf -rw-rw-r-- root/root 3727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lpj_xdm.sdf -rw-rw-r-- root/root 3727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lpk_xdm.sdf -rw-rw-r-- root/root 4447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lpl_71x.sdf -rw-rw-r-- root/root 4447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lpm_71y.sdf -rw-rw-r-- root/root 5079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lpo_725.sdf -rw-rw-r-- root/root 4313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lpq_72c.sdf -rw-rw-r-- root/root 5432 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lpt_726.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lpv_anp.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lpy_atp.sdf -rw-rw-r-- root/root 5868 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lqc_542.sdf -rw-rw-r-- root/root 4573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lqf_4sp.sdf -rw-rw-r-- root/root 6119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lqk_72m.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lqn_72o.sdf -rw-rw-r-- root/root 3978 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lqq_72p.sdf -rw-rw-r-- root/root 5953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lqr_72w.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lqs_ntm.sdf -rw-rw-r-- root/root 4303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lr6_731.sdf -rw-rw-r-- root/root 4940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lr7_73j.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lre_ks3.sdf -rw-rw-r-- root/root 4572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lrl_73s.sdf -rw-rw-r-- root/root 5344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ls1_73z.sdf -rw-rw-r-- root/root 6591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ls6_74d.sdf -rw-rw-r-- root/root 1762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lsa_dnc.sdf -rw-rw-r-- root/root 7055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lsg_qzq.sdf -rw-rw-r-- root/root 1945 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ltm_hci.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ltn_xi7.sdf -rw-rw-r-- root/root 2993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ltz_i22.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lu4_pyr.sdf -rw-rw-r-- root/root 3005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lu5_m7p.sdf -rw-rw-r-- root/root 2993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lu6_i22.sdf -rw-rw-r-- root/root 3623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lu8_5kn.sdf -rw-rw-r-- root/root 2593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lu9_3y7.sdf -rw-rw-r-- root/root 4765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lur_str.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lv2_dxe.sdf -rw-rw-r-- root/root 4925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lv2_lhb.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lv2_m2m.sdf -rw-rw-r-- root/root 4297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lv2_sao.sdf -rw-rw-r-- root/root 6118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lv3_lhf.sdf -rw-rw-r-- root/root 5223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lvd_79f.sdf -rw-rw-r-- root/root 2381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lvl_537.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lvm_ade.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lvn_adn.sdf -rw-rw-r-- root/root 3071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lvo_78w.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lvp_atp.sdf -rw-rw-r-- root/root 3109 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lvq_2lx.sdf -rw-rw-r-- root/root 2321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lvr_78y.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lw1_adn.sdf -rw-rw-r-- root/root 3403 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lw9_5uj.sdf -rw-rw-r-- root/root 4184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lwb_79h.sdf -rw-rw-r-- root/root 5974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lwd_79e.sdf -rw-rw-r-- root/root 4701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lwe_79k.sdf -rw-rw-r-- root/root 5118 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lwm_79t.sdf -rw-rw-r-- root/root 5378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lwn_79r.sdf -rw-rw-r-- root/root 6124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lwr_7b2.sdf -rw-rw-r-- root/root 2477 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lwt_7b3.sdf -rw-rw-r-- root/root 6687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lx3_7a1.sdf -rw-rw-r-- root/root 8768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lx5_7a0.sdf -rw-rw-r-- root/root 860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lx5_dpo.sdf -rw-rw-r-- root/root 3123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lx6_78p.sdf -rw-rw-r-- root/root 3476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lxc_7aa.sdf -rw-rw-r-- root/root 3819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lxd_7a7.sdf -rw-rw-r-- root/root 5539 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lxp_7ag.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ly2_oga.sdf -rw-rw-r-- root/root 2623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lyd_7b0.sdf -rw-rw-r-- root/root 6336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lyf_7b6.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lyg_mli.sdf -rw-rw-r-- root/root 6020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lyh_7b8.sdf -rw-rw-r-- root/root 7201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lyi_t4f.sdf -rw-rw-r-- root/root 3909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lyj_7ba.sdf -rw-rw-r-- root/root 7053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lyl_t5f.sdf -rw-rw-r-- root/root 5448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lyq_7be.sdf -rw-rw-r-- root/root 3855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lyw_7bh.sdf -rw-rw-r-- root/root 4067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lyx_7bf.sdf -rw-rw-r-- root/root 3748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lyy_7bj.sdf -rw-rw-r-- root/root 2330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lz2_7bx.sdf -rw-rw-r-- root/root 3381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lz4_7bw.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lz5_7k4.sdf -rw-rw-r-- root/root 4030 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lz7_7bk.sdf -rw-rw-r-- root/root 3902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lz8_7bp.sdf -rw-rw-r-- root/root 4550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lz9_7br.sdf -rw-rw-r-- root/root 7380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lzg_7bn.sdf -rw-rw-r-- root/root 8905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lzi_7bq.sdf -rw-rw-r-- root/root 8905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lzi_7db.sdf -rw-rw-r-- root/root 5315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5lzj_7bt.sdf -rw-rw-r-- root/root 5551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m05_52e.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m06_adp.sdf -rw-rw-r-- root/root 8754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m0d_7c8.sdf -rw-rw-r-- root/root 6658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m0e_5jk.sdf -rw-rw-r-- root/root 5020 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m0e_7cr.sdf -rw-rw-r-- root/root 8681 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m0m_7cf.sdf -rw-rw-r-- root/root 8314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m0s_7cw.sdf -rw-rw-r-- root/root 3414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m12_7d0.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m16_7d2.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m1c_pg4.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m1d_4lu.sdf -rw-rw-r-- root/root 6444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m1e_7d9.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m1r_adp.sdf -rw-rw-r-- root/root 9045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m23_7dc.sdf -rw-rw-r-- root/root 4467 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m24_9cr.sdf -rw-rw-r-- root/root 7806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m25_7du.sdf -rw-rw-r-- root/root 4890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m2f_uv8.sdf -rw-rw-r-- root/root 2855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m2v_7e5.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m3u_adp.sdf -rw-rw-r-- root/root 3336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m44_7ey.sdf -rw-rw-r-- root/root 2938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m4i_7fc.sdf -rw-rw-r-- root/root 4489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m51_nu6.sdf -rw-rw-r-- root/root 4998 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m53_7gj.sdf -rw-rw-r-- root/root 3934 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m55_7gg.sdf -rw-rw-r-- root/root 2938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m56_7fc.sdf -rw-rw-r-- root/root 4573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m57_4sp.sdf -rw-rw-r-- root/root 5191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m5a_ksa.sdf -rw-rw-r-- root/root 6582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m5q_7k1.sdf -rw-rw-r-- root/root 6508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m6e_7ht.sdf -rw-rw-r-- root/root 5953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m6f_7hu.sdf -rw-rw-r-- root/root 6685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m6h_7j6.sdf -rw-rw-r-- root/root 7028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m6l_7h9.sdf -rw-rw-r-- root/root 6591 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m6m_7h8.sdf -rw-rw-r-- root/root 7028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m6n_7h9.sdf -rw-rw-r-- root/root 4077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m6u_7ka.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m6z_adp.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m70_gdp.sdf -rw-rw-r-- root/root 4592 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m7e_sd5.sdf -rw-rw-r-- root/root 4677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m7g_fb7.sdf -rw-rw-r-- root/root 6969 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m7m_7hr.sdf -rw-rw-r-- root/root 2917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m7s_nht.sdf -rw-rw-r-- root/root 4300 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m7t_gdv.sdf -rw-rw-r-- root/root 4695 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m7u_xha.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m8d_ugi.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m8g_918.sdf -rw-rw-r-- root/root 1515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m8m_koj.sdf -rw-rw-r-- root/root 2218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m8n_mms.sdf -rw-rw-r-- root/root 1430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m8o_0tr.sdf -rw-rw-r-- root/root 1515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m8q_koj.sdf -rw-rw-r-- root/root 2218 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m8r_mms.sdf -rw-rw-r-- root/root 1430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m8t_0tr.sdf -rw-rw-r-- root/root 6158 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m96_q6y.sdf -rw-rw-r-- root/root 4870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m9w_7gr.sdf -rw-rw-r-- root/root 4558 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5m9x_7kp.sdf -rw-rw-r-- root/root 5304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ma7_7k0.sdf -rw-rw-r-- root/root 6629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5maf_xin.sdf -rw-rw-r-- root/root 5909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mag_7kc.sdf -rw-rw-r-- root/root 5136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mah_7kd.sdf -rw-rw-r-- root/root 5730 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mai_5u5.sdf -rw-rw-r-- root/root 2312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mam_sro.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5man_ngr.sdf -rw-rw-r-- root/root 2516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mar_7ke.sdf -rw-rw-r-- root/root 5407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mar_ar6.sdf -rw-rw-r-- root/root 5859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mat_7kj.sdf -rw-rw-r-- root/root 2582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mb0_47v.sdf -rw-rw-r-- root/root 2497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mb0_f63.sdf -rw-rw-r-- root/root 2958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mb0_f91.sdf -rw-rw-r-- root/root 85 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mbx_sp5.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mek_a3p.sdf -rw-rw-r-- root/root 9365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mes_7lt.sdf -rw-rw-r-- root/root 8474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mev_7lw.sdf -rw-rw-r-- root/root 4337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mex_pap.sdf -rw-rw-r-- root/root 2990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mf6_7m2.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mf6_pge.sdf -rw-rw-r-- root/root 2824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mfp_7m5.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mfp_pg4.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mfp_pge.sdf -rw-rw-r-- root/root 2750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mfr_7mk.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mfr_mli.sdf -rw-rw-r-- root/root 3659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mfs_7ml.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mfs_mli.sdf -rw-rw-r-- root/root 3670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mft_7mf.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mft_mli.sdf -rw-rw-r-- root/root 3556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mfz_7m9.sdf -rw-rw-r-- root/root 5036 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mg2_7m8.sdf -rw-rw-r-- root/root 2232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mge_7mx.sdf -rw-rw-r-- root/root 2222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mgf_7mw.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mgg_7mu.sdf -rw-rw-r-- root/root 2232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mgj_7mx.sdf -rw-rw-r-- root/root 2222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mgk_7mw.sdf -rw-rw-r-- root/root 1701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mgl_7mu.sdf -rw-rw-r-- root/root 2434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mgm_7mz.sdf -rw-rw-r-- root/root 4474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mgn_7n2.sdf -rw-rw-r-- root/root 2750 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mhb_pbg.sdf -rw-rw-r-- root/root 6830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mhp_7nb.sdf -rw-rw-r-- root/root 4874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mhq_8qt.sdf -rw-rw-r-- root/root 3211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mih_7nu.sdf -rw-rw-r-- root/root 7217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mim_1n.sdf -rw-rw-r-- root/root 3941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mj5_7o0.sdf -rw-rw-r-- root/root 7479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mj6_7o2.sdf -rw-rw-r-- root/root 3344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mja_7o3.sdf -rw-rw-r-- root/root 3956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mk4_i5w.sdf -rw-rw-r-- root/root 4275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mkj_4cu.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mko_amp.sdf -rw-rw-r-- root/root 5371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mks_ti8.sdf -rw-rw-r-- root/root 3552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mku_j57.sdf -rw-rw-r-- root/root 1784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mkx_82i.sdf -rw-rw-r-- root/root 3497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mky_i0d.sdf -rw-rw-r-- root/root 3108 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ml0_p2l.sdf -rw-rw-r-- root/root 5561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ml2_nh6.sdf -rw-rw-r-- root/root 7410 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ml3_dl3.sdf -rw-rw-r-- root/root 7864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ml4_rrq.sdf -rw-rw-r-- root/root 7604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ml6_9gd.sdf -rw-rw-r-- root/root 7145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ml8_v98.sdf -rw-rw-r-- root/root 4016 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mlj_9st.sdf -rw-rw-r-- root/root 4253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mma_vht.sdf -rw-rw-r-- root/root 4520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mmb_ouy.sdf -rw-rw-r-- root/root 4381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mme_8q6.sdf -rw-rw-r-- root/root 3372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mmf_jmb.sdf -rw-rw-r-- root/root 4217 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mmg_ut0.sdf -rw-rw-r-- root/root 4019 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mmn_o54.sdf -rw-rw-r-- root/root 4666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mmo_9jg.sdf -rw-rw-r-- root/root 4502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mmp_g3z.sdf -rw-rw-r-- root/root 3707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mmr_h83.sdf -rw-rw-r-- root/root 3956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mmw_sjz.sdf -rw-rw-r-- root/root 5573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mnr_jc2.sdf -rw-rw-r-- root/root 4523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mo4_ay7.sdf -rw-rw-r-- root/root 5622 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mo4_nil.sdf -rw-rw-r-- root/root 3984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mo5_4ih.sdf -rw-rw-r-- root/root 3373 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mo7_yra.sdf -rw-rw-r-- root/root 5445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mo8_c98.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5moe_adp.sdf -rw-rw-r-- root/root 2229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5moe_oqc.sdf -rw-rw-r-- root/root 2123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5moh_ytx.sdf -rw-rw-r-- root/root 1600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mot_hbd.sdf -rw-rw-r-- root/root 1780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mov_hc4.sdf -rw-rw-r-- root/root 1419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mow_br9.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mp8_adp.sdf -rw-rw-r-- root/root 2852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mp8_rkn.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mpj_adp.sdf -rw-rw-r-- root/root 3112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mpj_j2p.sdf -rw-rw-r-- root/root 1997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mpz_4i8.sdf -rw-rw-r-- root/root 1607 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mqe_pku.sdf -rw-rw-r-- root/root 2128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mqg_f31.sdf -rw-rw-r-- root/root 2235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mqk_qpr.sdf -rw-rw-r-- root/root 3131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mql_dcm.sdf -rw-rw-r-- root/root 6012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mql_g65.sdf -rw-rw-r-- root/root 6180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mqt_sti.sdf -rw-rw-r-- root/root 5962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mqv_d5q.sdf -rw-rw-r-- root/root 7494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mrb_c5n.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mrd_atp.sdf -rw-rw-r-- root/root 3190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mrd_s26.sdf -rw-rw-r-- root/root 2199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mrh_q9z.sdf -rw-rw-r-- root/root 2824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mri_q9y.sdf -rw-rw-r-- root/root 2115 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mrm_q9t.sdf -rw-rw-r-- root/root 2543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mro_q9p.sdf -rw-rw-r-- root/root 2732 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mrp_6bc.sdf -rw-rw-r-- root/root 3713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mt0_qjs.sdf -rw-rw-r-- root/root 3136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mt4_m7o.sdf -rw-rw-r-- root/root 2312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mt9_sro.sdf -rw-rw-r-- root/root 4226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mtp_53k.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mtp_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mtq_nad.sdf -rw-rw-r-- root/root 4583 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mtq_xt3.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mtr_nad.sdf -rw-rw-r-- root/root 4323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mtr_xt0.sdf -rw-rw-r-- root/root 4604 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mts_xka.sdf -rw-rw-r-- root/root 3386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mut_hyt.sdf -rw-rw-r-- root/root 3043 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mvc_y9b.sdf -rw-rw-r-- root/root 3729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mvd_u91.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mvs_5jj.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mvs_adn.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mw3_5jj.sdf -rw-rw-r-- root/root 2852 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mw3_5jt.sdf -rw-rw-r-- root/root 7359 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mw4_5ju.sdf -rw-rw-r-- root/root 3250 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mw6_rc0.sdf -rw-rw-r-- root/root 4494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mw8_5my.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mw8_atp.sdf -rw-rw-r-- root/root 10611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mwj_ebu.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mwm_i6p.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mwo_j6w.sdf -rw-rw-r-- root/root 2588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mxk_zha.sdf -rw-rw-r-- root/root 9277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mxo_fsc.sdf -rw-rw-r-- root/root 2562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mxv_k3t.sdf -rw-rw-r-- root/root 4194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mxx_w4a.sdf -rw-rw-r-- root/root 5584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5my8_rxz.sdf -rw-rw-r-- root/root 4039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5myg_ls8.sdf -rw-rw-r-- root/root 3176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5myl_q2n.sdf -rw-rw-r-- root/root 5459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mym_hyv.sdf -rw-rw-r-- root/root 2645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5myn_zuf.sdf -rw-rw-r-- root/root 2940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5myr_udy.sdf -rw-rw-r-- root/root 3270 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mys_yp6.sdf -rw-rw-r-- root/root 3259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5myt_zqc.sdf -rw-rw-r-- root/root 4194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5myv_w4a.sdf -rw-rw-r-- root/root 2706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5myw_wcu.sdf -rw-rw-r-- root/root 2861 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mzc_8eq.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mzc_fad.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mzi_fad.sdf -rw-rw-r-- root/root 2968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mzi_fyk.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mzj_ola.sdf -rw-rw-r-- root/root 1971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mzj_tep.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mzk_fad.sdf -rw-rw-r-- root/root 3488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mzk_ok1.sdf -rw-rw-r-- root/root 2236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mzp_cff.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5mzp_ola.sdf -rw-rw-r-- root/root 4588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n0d_8f2.sdf -rw-rw-r-- root/root 4199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n16_8fn.sdf -rw-rw-r-- root/root 3949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n17_8fk.sdf -rw-rw-r-- root/root 4035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n18_8hz.sdf -rw-rw-r-- root/root 5586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n1v_8gq.sdf -rw-rw-r-- root/root 2866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n1x_8hh.sdf -rw-rw-r-- root/root 4866 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n21_8hn.sdf -rw-rw-r-- root/root 5851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n2d_8j8.sdf -rw-rw-r-- root/root 5561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n2f_8hw.sdf -rw-rw-r-- root/root 5095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n2r_8jn.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n2r_ola.sdf -rw-rw-r-- root/root 5261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n2s_8k8.sdf -rw-rw-r-- root/root 5291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n2t_8kk.sdf -rw-rw-r-- root/root 5833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n2x_8kn.sdf -rw-rw-r-- root/root 5551 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n2z_8jh.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n31_8lb.sdf -rw-rw-r-- root/root 5031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n34_8jq.sdf -rw-rw-r-- root/root 4771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n3v_8l5.sdf -rw-rw-r-- root/root 3119 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n3w_8kw.sdf -rw-rw-r-- root/root 5304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n3y_8l2.sdf -rw-rw-r-- root/root 4181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n49_8lw.sdf -rw-rw-r-- root/root 2126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n53_8nb.sdf -rw-rw-r-- root/root 3600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n5j_8nt.sdf -rw-rw-r-- root/root 3321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n5k_8nw.sdf -rw-rw-r-- root/root 6865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n66_b96.sdf -rw-rw-r-- root/root 4831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n69_2ow.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n6c_nad.sdf -rw-rw-r-- root/root 4080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n6s_8p5.sdf -rw-rw-r-- root/root 2406 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n6t_8p2.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n7t_fad.sdf -rw-rw-r-- root/root 2260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n7t_jhy.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n7v_7pe.sdf -rw-rw-r-- root/root 5354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n7v_8pt.sdf -rw-rw-r-- root/root 4478 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n84_8q5.sdf -rw-rw-r-- root/root 1815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n84_pg0.sdf -rw-rw-r-- root/root 7330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n87_n66.sdf -rw-rw-r-- root/root 2948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n87_pgf.sdf -rw-rw-r-- root/root 5971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n8c_8q8.sdf -rw-rw-r-- root/root 4006 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n93_8qe.sdf -rw-rw-r-- root/root 6047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5n9s_8qw.sdf -rw-rw-r-- root/root 9711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5na0_8qz.sdf -rw-rw-r-- root/root 2508 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nab_8rk.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nab_fad.sdf -rw-rw-r-- root/root 5881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nad_8rh.sdf -rw-rw-r-- root/root 3686 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nae_8r8.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nae_fad.sdf -rw-rw-r-- root/root 3593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nag_8r5.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nag_fad.sdf -rw-rw-r-- root/root 3769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nah_8rb.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nah_fad.sdf -rw-rw-r-- root/root 7974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5naj_8se.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nak_fad.sdf -rw-rw-r-- root/root 2479 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nak_kyn.sdf -rw-rw-r-- root/root 4960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nar_8rw.sdf -rw-rw-r-- root/root 5067 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5naw_8rz.sdf -rw-rw-r-- root/root 5150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nb6_8s2.sdf -rw-rw-r-- root/root 4611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nb7_8nq.sdf -rw-rw-r-- root/root 4970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nba_8s5.sdf -rw-rw-r-- root/root 7867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nbf_8s8.sdf -rw-rw-r-- root/root 2831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nc5_d10.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nc5_d12.sdf -rw-rw-r-- root/root 2570 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nc5_dd9.sdf -rw-rw-r-- root/root 7198 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nc5_lmt.sdf -rw-rw-r-- root/root 5705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nc5_puy.sdf -rw-rw-r-- root/root 8234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ncf_8t5.sdf -rw-rw-r-- root/root 4337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ncy_8tk.sdf -rw-rw-r-- root/root 5294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ncz_8tn.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ndd_8tz.sdf -rw-rw-r-- root/root 2899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ndf_lu2.sdf -rw-rw-r-- root/root 5949 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ndz_8un.sdf -rw-rw-r-- root/root 2407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5neb_8ve.sdf -rw-rw-r-- root/root 4619 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nev_72l.sdf -rw-rw-r-- root/root 2065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nf5_8vn.sdf -rw-rw-r-- root/root 2065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nf6_8vn.sdf -rw-rw-r-- root/root 5135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nf7_8vz.sdf -rw-rw-r-- root/root 6138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nf9_8vw.sdf -rw-rw-r-- root/root 6658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nfa_8vq.sdf -rw-rw-r-- root/root 7661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nfb_8vt.sdf -rw-rw-r-- root/root 5867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nfp_8w5.sdf -rw-rw-r-- root/root 5149 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nft_8w8.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ng0_acp.sdf -rw-rw-r-- root/root 3661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ng1_8wb.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ng2_stu.sdf -rw-rw-r-- root/root 2065 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ng9_8vn.sdf -rw-rw-r-- root/root 4890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ngb_8wh.sdf -rw-rw-r-- root/root 1796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ngr_8wt.sdf -rw-rw-r-- root/root 2962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ngs_8ww.sdf -rw-rw-r-- root/root 2446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ngt_8wz.sdf -rw-rw-r-- root/root 5012 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ngu_8x2.sdf -rw-rw-r-- root/root 1797 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ngz_2bg.sdf -rw-rw-r-- root/root 5013 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nhf_8x5.sdf -rw-rw-r-- root/root 4717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nhh_8xh.sdf -rw-rw-r-- root/root 4384 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nhj_8xe.sdf -rw-rw-r-- root/root 4908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nhl_8xb.sdf -rw-rw-r-- root/root 4904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nho_8xn.sdf -rw-rw-r-- root/root 4644 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nhp_8xk.sdf -rw-rw-r-- root/root 3844 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nhv_8qb.sdf -rw-rw-r-- root/root 3731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nhy_8xt.sdf -rw-rw-r-- root/root 4738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ni2_dj3.sdf -rw-rw-r-- root/root 4738 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ni6_dj3.sdf -rw-rw-r-- root/root 2407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nih_8ve.sdf -rw-rw-r-- root/root 3228 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nio_8yh.sdf -rw-rw-r-- root/root 7074 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5niu_8yz.sdf -rw-rw-r-- root/root 7357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nix_8yq.sdf -rw-rw-r-- root/root 4172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5niz_8yt.sdf -rw-rw-r-- root/root 3548 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nj0_8yw.sdf -rw-rw-r-- root/root 5521 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5njb_bb2.sdf -rw-rw-r-- root/root 7557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5njr_cto.sdf -rw-rw-r-- root/root 5125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5njz_8zh.sdf -rw-rw-r-- root/root 5279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nk0_91e.sdf -rw-rw-r-- root/root 4899 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nk1_90n.sdf -rw-rw-r-- root/root 5137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nk2_8zz.sdf -rw-rw-r-- root/root 4865 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nk3_92q.sdf -rw-rw-r-- root/root 5148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nk4_90e.sdf -rw-rw-r-- root/root 4888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nk5_90k.sdf -rw-rw-r-- root/root 5303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nk6_90w.sdf -rw-rw-r-- root/root 6260 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nk8_90z.sdf -rw-rw-r-- root/root 5729 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nk9_912.sdf -rw-rw-r-- root/root 5491 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nka_91h.sdf -rw-rw-r-- root/root 5753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nkb_8zt.sdf -rw-rw-r-- root/root 4971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nkc_90t.sdf -rw-rw-r-- root/root 5231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nkd_91k.sdf -rw-rw-r-- root/root 5135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nke_90b.sdf -rw-rw-r-- root/root 5418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nkf_8zn.sdf -rw-rw-r-- root/root 5645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nkg_8zk.sdf -rw-rw-r-- root/root 6211 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nkh_8zq.sdf -rw-rw-r-- root/root 5137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nki_8zw.sdf -rw-rw-r-- root/root 5129 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nkl_91t.sdf -rw-rw-r-- root/root 6769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nky_91w.sdf -rw-rw-r-- root/root 3711 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nm4_zma.sdf -rw-rw-r-- root/root 6770 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nma_9cw.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nn5_noj.sdf -rw-rw-r-- root/root 2814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nn6_mig.sdf -rw-rw-r-- root/root 7830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nn8_acr.sdf -rw-rw-r-- root/root 4605 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5no1_xz4.sdf -rw-rw-r-- root/root 4753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nob_92t.sdf -rw-rw-r-- root/root 3816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5non_93h.sdf -rw-rw-r-- root/root 1853 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5noy_93k.sdf -rw-rw-r-- root/root 2029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5noz_l99.sdf -rw-rw-r-- root/root 2586 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5npc_94e.sdf -rw-rw-r-- root/root 2295 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5npd_94b.sdf -rw-rw-r-- root/root 2294 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5npe_948.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nqb_mli.sdf -rw-rw-r-- root/root 1731 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nqc_1kp.sdf -rw-rw-r-- root/root 4748 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nqe_94z.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nqq_nai.sdf -rw-rw-r-- root/root 1177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nqq_oaa.sdf -rw-rw-r-- root/root 4076 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nrd_lat.sdf -rw-rw-r-- root/root 4279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nrw_96n.sdf -rw-rw-r-- root/root 6943 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nti_c3s.sdf -rw-rw-r-- root/root 9208 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ntk_99n.sdf -rw-rw-r-- root/root 7040 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ntn_98h.sdf -rw-rw-r-- root/root 5873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ntp_98e.sdf -rw-rw-r-- root/root 7986 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ntt_sve.sdf -rw-rw-r-- root/root 6593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ntw_98n.sdf -rw-rw-r-- root/root 5160 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nu1_8yb.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nu3_99e.sdf -rw-rw-r-- root/root 4466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nu5_99e.sdf -rw-rw-r-- root/root 4860 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nuo_c8e.sdf -rw-rw-r-- root/root 5105 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nxc_9db.sdf -rw-rw-r-- root/root 4820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nxd_9d8.sdf -rw-rw-r-- root/root 2222 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nzo_9ez.sdf -rw-rw-r-- root/root 1444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nzp_9ew.sdf -rw-rw-r-- root/root 1889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nzq_5ao.sdf -rw-rw-r-- root/root 4315 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5nzy_ce3.sdf -rw-rw-r-- root/root 7145 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o08_cod.sdf -rw-rw-r-- root/root 2339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o0a_9fh.sdf -rw-rw-r-- root/root 1735 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o0b_9fe.sdf -rw-rw-r-- root/root 2588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o0c_9f8.sdf -rw-rw-r-- root/root 2787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o0d_9f5.sdf -rw-rw-r-- root/root 2319 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o0f_iop.sdf -rw-rw-r-- root/root 2762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o0h_9fn.sdf -rw-rw-r-- root/root 3464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o11_3ng.sdf -rw-rw-r-- root/root 5212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o13_9g5.sdf -rw-rw-r-- root/root 2302 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o1n_9h8.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o26_anp.sdf -rw-rw-r-- root/root 3710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o2d_9hh.sdf -rw-rw-r-- root/root 2407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o4f_8ve.sdf -rw-rw-r-- root/root 4303 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o52_9le.sdf -rw-rw-r-- root/root 4286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o7a_9n5.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o7t_dcp.sdf -rw-rw-r-- root/root 5184 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o83_9nq.sdf -rw-rw-r-- root/root 916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o8g_mli.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o8i_adp.sdf -rw-rw-r-- root/root 7494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5o91_c5n.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5obj_atp.sdf -rw-rw-r-- root/root 4710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5oe3_3uk.sdf -rw-rw-r-- root/root 4712 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5oe6_9sn.sdf -rw-rw-r-- root/root 5354 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5oer_do3.sdf -rw-rw-r-- root/root 1952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ofm_9tt.sdf -rw-rw-r-- root/root 1690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ofv_9tz.sdf -rw-rw-r-- root/root 1525 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ofw_9tw.sdf -rw-rw-r-- root/root 7460 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ohj_9ve.sdf -rw-rw-r-- root/root 2655 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5olx_bg6.sdf -rw-rw-r-- root/root 463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5olx_mgf.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5oly_g6p.sdf -rw-rw-r-- root/root 463 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5oly_mgf.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5omf_dtp.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5omq_dtp.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5omv_dtp.sdf -rw-rw-r-- root/root 5080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5omw_lss.sdf -rw-rw-r-- root/root 5330 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5on0_9yh.sdf -rw-rw-r-- root/root 5070 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5on1_9yk.sdf -rw-rw-r-- root/root 4446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5on2_vrt.sdf -rw-rw-r-- root/root 4707 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5on3_9yn.sdf -rw-rw-r-- root/root 6282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5one_9yq.sdf -rw-rw-r-- root/root 4446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5onh_vrt.sdf -rw-rw-r-- root/root 4769 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5op4_a0t.sdf -rw-rw-r-- root/root 4985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5op6_a0w.sdf -rw-rw-r-- root/root 4576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5op7_a1k.sdf -rw-rw-r-- root/root 3449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5op8_a1h.sdf -rw-rw-r-- root/root 4829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5opb_a1n.sdf -rw-rw-r-- root/root 2985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5opc_a1z.sdf -rw-rw-r-- root/root 4898 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5opr_a3e.sdf -rw-rw-r-- root/root 3785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5opv_a3h.sdf -rw-rw-r-- root/root 4512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5oq4_a3w.sdf -rw-rw-r-- root/root 3957 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5or8_jr4.sdf -rw-rw-r-- root/root 4407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5or9_jr5.sdf -rw-rw-r-- root/root 3758 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5orb_jr6.sdf -rw-rw-r-- root/root 4572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5osk_a9q.sdf -rw-rw-r-- root/root 1534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5osw_diu.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ot8_6db.sdf -rw-rw-r-- root/root 2661 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ot9_aoz.sdf -rw-rw-r-- root/root 2709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ota_aqq.sdf -rw-rw-r-- root/root 2449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5otc_aqk.sdf -rw-rw-r-- root/root 5069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ov7_6fs.sdf -rw-rw-r-- root/root 5240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ov9_cvi.sdf -rw-rw-r-- root/root 1815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ov9_pg0.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ov9_pge.sdf -rw-rw-r-- root/root 4146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ovr_axk.sdf -rw-rw-r-- root/root 4146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ovx_ay5.sdf -rw-rw-r-- root/root 4290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ow1_ay8.sdf -rw-rw-r-- root/root 4598 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5owq_38o.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5owr_1n1.sdf -rw-rw-r-- root/root 2675 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ox5_b2e.sdf -rw-rw-r-- root/root 2985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ox6_a1z.sdf -rw-rw-r-- root/root 4891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5oxg_b4b.sdf -rw-rw-r-- root/root 4314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5oxj_nzi.sdf -rw-rw-r-- root/root 3082 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5oy4_b4k.sdf -rw-rw-r-- root/root 3532 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5oy6_b4e.sdf -rw-rw-r-- root/root 6177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p2p_dhg.sdf -rw-rw-r-- root/root 2402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p8w_o01.sdf -rw-rw-r-- root/root 4902 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p8x_75z.sdf -rw-rw-r-- root/root 4950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p8y_763.sdf -rw-rw-r-- root/root 4773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p8z_766.sdf -rw-rw-r-- root/root 4950 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p90_769.sdf -rw-rw-r-- root/root 4784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p91_76b.sdf -rw-rw-r-- root/root 4773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p92_76g.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p93_76s.sdf -rw-rw-r-- root/root 5422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p94_76t.sdf -rw-rw-r-- root/root 5127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p95_77g.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p95_d1d.sdf -rw-rw-r-- root/root 5127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p96_77h.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p96_d1d.sdf -rw-rw-r-- root/root 3781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p97_77k.sdf -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p98_77l.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p98_d1d.sdf -rw-rw-r-- root/root 4771 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p99_77m.sdf -rw-rw-r-- root/root 4961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9a_77n.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9a_d1d.sdf -rw-rw-r-- root/root 4334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9b_77p.sdf -rw-rw-r-- root/root 5116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9c_77q.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9c_d1d.sdf -rw-rw-r-- root/root 4561 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9d_77r.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9d_d1d.sdf -rw-rw-r-- root/root 4867 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9e_77s.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9e_d1d.sdf -rw-rw-r-- root/root 7172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9f_2vl.sdf -rw-rw-r-- root/root 7290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9g_7g6.sdf -rw-rw-r-- root/root 7537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9h_7g7.sdf -rw-rw-r-- root/root 5226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9i_1e8.sdf -rw-rw-r-- root/root 5009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9l_7g9.sdf -rw-rw-r-- root/root 5599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9n_7je.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9n_d1d.sdf -rw-rw-r-- root/root 3576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9o_7jf.sdf -rw-rw-r-- root/root 1494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9o_dtd.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9o_sah.sdf -rw-rw-r-- root/root 3556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9p_7jg.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9p_sah.sdf -rw-rw-r-- root/root 2802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9q_7jh.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9q_d1d.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9q_sah.sdf -rw-rw-r-- root/root 2648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9r_7jj.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9r_sah.sdf -rw-rw-r-- root/root 4314 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9s_7jk.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9s_sah.sdf -rw-rw-r-- root/root 2636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9t_7jd.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9t_d1d.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9t_sah.sdf -rw-rw-r-- root/root 1728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9u_7jl.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9u_sah.sdf -rw-rw-r-- root/root 2802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9v_7jm.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9v_d1d.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9v_sah.sdf -rw-rw-r-- root/root 6049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9w_7jn.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9w_d1d.sdf -rw-rw-r-- root/root 5776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9x_7jo.sdf -rw-rw-r-- root/root 5140 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9y_7jp.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9y_d1d.sdf -rw-rw-r-- root/root 2710 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9y_nhe.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9z_7jq.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9z_d1d.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5p9z_sah.sdf -rw-rw-r-- root/root 2413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa0_7jr.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa0_sah.sdf -rw-rw-r-- root/root 2625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa1_7js.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa1_d1d.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa1_sah.sdf -rw-rw-r-- root/root 2647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa2_7ju.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa2_d1d.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa2_sah.sdf -rw-rw-r-- root/root 3239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa3_7jv.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa3_d1d.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa3_sah.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa6_7jw.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa6_sah.sdf -rw-rw-r-- root/root 1727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa7_7jx.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pa7_sah.sdf -rw-rw-r-- root/root 5057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pab_7xd.sdf -rw-rw-r-- root/root 2022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pah_ldp.sdf -rw-rw-r-- root/root 4897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pgu_8k4.sdf -rw-rw-r-- root/root 4991 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pgv_8k7.sdf -rw-rw-r-- root/root 5640 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pgw_8ka.sdf -rw-rw-r-- root/root 4980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pgx_8kd.sdf -rw-rw-r-- root/root 4720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pgy_8kg.sdf -rw-rw-r-- root/root 4720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pgz_8kg.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5phb_oga.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5phk_oga.sdf -rw-rw-r-- root/root 1420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pia_oga.sdf -rw-rw-r-- root/root 4572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pzk_2n5.sdf -rw-rw-r-- root/root 5162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pzl_8xv.sdf -rw-rw-r-- root/root 4170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pzm_8xs.sdf -rw-rw-r-- root/root 5293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pzn_8xp.sdf -rw-rw-r-- root/root 5881 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pzo_8xm.sdf -rw-rw-r-- root/root 5894 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5pzp_8xj.sdf -rw-rw-r-- root/root 6142 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0d_9ey.sdf -rw-rw-r-- root/root 6662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0e_9fd.sdf -rw-rw-r-- root/root 6496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0f_9fa.sdf -rw-rw-r-- root/root 6662 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0g_9f7.sdf -rw-rw-r-- root/root 5941 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0h_9f1.sdf -rw-rw-r-- root/root 5907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0i_0x0.sdf -rw-rw-r-- root/root 6431 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0j_9kv.sdf -rw-rw-r-- root/root 6136 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0l_9ky.sdf -rw-rw-r-- root/root 7530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0m_9l1.sdf -rw-rw-r-- root/root 5612 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0n_9l4.sdf -rw-rw-r-- root/root 6879 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0o_9l7.sdf -rw-rw-r-- root/root 5589 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0p_9la.sdf -rw-rw-r-- root/root 5599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0q_9ld.sdf -rw-rw-r-- root/root 5671 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0r_9lg.sdf -rw-rw-r-- root/root 5423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0s_9lj.sdf -rw-rw-r-- root/root 4751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0t_9lm.sdf -rw-rw-r-- root/root 6286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0u_9lp.sdf -rw-rw-r-- root/root 5329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0v_9ls.sdf -rw-rw-r-- root/root 5341 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0w_9lv.sdf -rw-rw-r-- root/root 6370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0y_9ly.sdf -rw-rw-r-- root/root 5022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q0z_9m1.sdf -rw-rw-r-- root/root 6489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q10_9m4.sdf -rw-rw-r-- root/root 5168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q11_9m7.sdf -rw-rw-r-- root/root 4231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q12_9ma.sdf -rw-rw-r-- root/root 5651 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q13_9md.sdf -rw-rw-r-- root/root 5600 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q14_9mm.sdf -rw-rw-r-- root/root 6418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q15_9mp.sdf -rw-rw-r-- root/root 6419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q16_9ms.sdf -rw-rw-r-- root/root 5069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q17_9mv.sdf -rw-rw-r-- root/root 6512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q18_9my.sdf -rw-rw-r-- root/root 6490 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q19_9n1.sdf -rw-rw-r-- root/root 6512 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q1a_9n4.sdf -rw-rw-r-- root/root 6154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q1b_9n7.sdf -rw-rw-r-- root/root 6523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q1c_9na.sdf -rw-rw-r-- root/root 5318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q1d_9nd.sdf -rw-rw-r-- root/root 5423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q1e_9ng.sdf -rw-rw-r-- root/root 6700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q1f_9nj.sdf -rw-rw-r-- root/root 5048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q1g_9nm.sdf -rw-rw-r-- root/root 6265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q1h_9np.sdf -rw-rw-r-- root/root 4846 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5q1i_9o1.sdf -rw-rw-r-- root/root 7387 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qbu_b8j.sdf -rw-rw-r-- root/root 7197 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qbv_n2d.sdf -rw-rw-r-- root/root 7210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qbw_b8s.sdf -rw-rw-r-- root/root 8287 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qbx_b8v.sdf -rw-rw-r-- root/root 7210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qby_n2a.sdf -rw-rw-r-- root/root 7210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qbz_b8y.sdf -rw-rw-r-- root/root 8523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qc0_bqj.sdf -rw-rw-r-- root/root 7765 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qc1_b9s.sdf -rw-rw-r-- root/root 9150 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qc2_bqp.sdf -rw-rw-r-- root/root 7577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qc3_b9y.sdf -rw-rw-r-- root/root 8011 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qc4_bc7.sdf -rw-rw-r-- root/root 8191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qc5_baj.sdf -rw-rw-r-- root/root 8913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qc6_bcj.sdf -rw-rw-r-- root/root 9045 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qc7_bqs.sdf -rw-rw-r-- root/root 7790 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qc8_bfv.sdf -rw-rw-r-- root/root 7636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qc9_bg7.sdf -rw-rw-r-- root/root 8513 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qca_bgj.sdf -rw-rw-r-- root/root 9419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qcb_bhv.sdf -rw-rw-r-- root/root 7649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qcc_bgy.sdf -rw-rw-r-- root/root 8499 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qcd_bhj.sdf -rw-rw-r-- root/root 7800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qcf_bjd.sdf -rw-rw-r-- root/root 8132 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qcg_bjj.sdf -rw-rw-r-- root/root 8071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qch_bjs.sdf -rw-rw-r-- root/root 8143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qci_bjv.sdf -rw-rw-r-- root/root 7024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qcj_bjy.sdf -rw-rw-r-- root/root 5705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qck_buv.sdf -rw-rw-r-- root/root 5445 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qcl_buy.sdf -rw-rw-r-- root/root 5893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qcm_bvj.sdf -rw-rw-r-- root/root 7759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5qcn_bvm.sdf -rw-rw-r-- root/root 3435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5rhn_8br.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5std_unn.sdf -rw-rw-r-- root/root 2656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5suk_g6p.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5sul_udp.sdf -rw-rw-r-- root/root 5035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5sun_70q.sdf -rw-rw-r-- root/root 3097 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5suw_70g.sdf -rw-rw-r-- root/root 2859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5sux_70h.sdf -rw-rw-r-- root/root 4179 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5svf_70p.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5svl_atp.sdf -rw-rw-r-- root/root 4698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5svp_6at.sdf -rw-rw-r-- root/root 5918 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5svq_128.sdf -rw-rw-r-- root/root 6327 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5svr_71c.sdf -rw-rw-r-- root/root 2029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5sw3_46l.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5swg_caq.sdf -rw-rw-r-- root/root 1718 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5swo_2zv.sdf -rw-rw-r-- root/root 1754 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5swp_70v.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5swr_sal.sdf -rw-rw-r-- root/root 1153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5swt_71a.sdf -rw-rw-r-- root/root 1495 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5sx8_71m.sdf -rw-rw-r-- root/root 1550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5sx8_luz.sdf -rw-rw-r-- root/root 1672 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5sxb_soa.sdf -rw-rw-r-- root/root 1774 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5sxd_71f.sdf -rw-rw-r-- root/root 1824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5sxi_71j.sdf -rw-rw-r-- root/root 3523 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5sxn_74u.sdf -rw-rw-r-- root/root 4528 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5sy2_74v.sdf -rw-rw-r-- root/root 3241 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5sy3_74z.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5sym_71q.sdf -rw-rw-r-- root/root 5673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5syz_71w.sdf -rw-rw-r-- root/root 4174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5sz9_74y.sdf -rw-rw-r-- root/root 8263 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5szt_72j.sdf -rw-rw-r-- root/root 3489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t0l_73x.sdf -rw-rw-r-- root/root 4913 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t0p_73a.sdf -rw-rw-r-- root/root 3534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t0t_72q.sdf -rw-rw-r-- root/root 6580 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t18_73t.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t19_73u.sdf -rw-rw-r-- root/root 6395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t1a_73r.sdf -rw-rw-r-- root/root 3926 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t1a_vt5.sdf -rw-rw-r-- root/root 3816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t1h_75e.sdf -rw-rw-r-- root/root 5447 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t1s_76q.sdf -rw-rw-r-- root/root 3961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t1t_76p.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t1z_q97.sdf -rw-rw-r-- root/root 5510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t21_74e.sdf -rw-rw-r-- root/root 4776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t23_74f.sdf -rw-rw-r-- root/root 4776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t27_74f.sdf -rw-rw-r-- root/root 4634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t28_74q.sdf -rw-rw-r-- root/root 4162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t2b_74o.sdf -rw-rw-r-- root/root 5141 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t2d_74l.sdf -rw-rw-r-- root/root 4527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t2g_74k.sdf -rw-rw-r-- root/root 4527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t2i_74j.sdf -rw-rw-r-- root/root 4527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t2l_74h.sdf -rw-rw-r-- root/root 4787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t2m_74n.sdf -rw-rw-r-- root/root 4166 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t2p_k89.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t2t_0n8.sdf -rw-rw-r-- root/root 3665 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t2y_753.sdf -rw-rw-r-- root/root 11787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t35_759.sdf -rw-rw-r-- root/root 4411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t36_755.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t36_gsh.sdf -rw-rw-r-- root/root 3830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t37_758.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t37_gsh.sdf -rw-rw-r-- root/root 6381 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t3q_75h.sdf -rw-rw-r-- root/root 5767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t4b_75n.sdf -rw-rw-r-- root/root 6193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t4e_75l.sdf -rw-rw-r-- root/root 5223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t4f_75m.sdf -rw-rw-r-- root/root 5223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t4h_75j.sdf -rw-rw-r-- root/root 3977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t4k_76u.sdf -rw-rw-r-- root/root 3908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t4s_pg6.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t4u_12q.sdf -rw-rw-r-- root/root 4039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t4v_n48.sdf -rw-rw-r-- root/root 6281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t5g_75p.sdf -rw-rw-r-- root/root 3682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t5t_75o.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t5u_75t.sdf -rw-rw-r-- root/root 3713 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t68_77v.sdf -rw-rw-r-- root/root 4677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t6c_75s.sdf -rw-rw-r-- root/root 4937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t6e_75r.sdf -rw-rw-r-- root/root 4937 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t6h_75q.sdf -rw-rw-r-- root/root 4906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t6n_75u.sdf -rw-rw-r-- root/root 2101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t7e_ppq.sdf -rw-rw-r-- root/root 4639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t7f_76c.sdf -rw-rw-r-- root/root 6997 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t7o_nap.sdf -rw-rw-r-- root/root 5010 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t7o_thg.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t7p_xmm.sdf -rw-rw-r-- root/root 2936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t8e_77u.sdf -rw-rw-r-- root/root 5650 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t8f_799.sdf -rw-rw-r-- root/root 1994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t8g_4z0.sdf -rw-rw-r-- root/root 4746 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t8i_77c.sdf -rw-rw-r-- root/root 3195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t8j_77t.sdf -rw-rw-r-- root/root 3666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t8o_76z.sdf -rw-rw-r-- root/root 2531 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t8p_774.sdf -rw-rw-r-- root/root 2502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t8q_76y.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t91_bcn.sdf -rw-rw-r-- root/root 4762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t92_77w.sdf -rw-rw-r-- root/root 5527 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t97_782.sdf -rw-rw-r-- root/root 1753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5t9c_g3p.sdf -rw-rw-r-- root/root 7515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ta4_838.sdf -rw-rw-r-- root/root 7069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ta6_79d.sdf -rw-rw-r-- root/root 6700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ta8_79c.sdf -rw-rw-r-- root/root 3309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tb6_77x.sdf -rw-rw-r-- root/root 3788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tb8_1rz.sdf -rw-rw-r-- root/root 3810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tb9_1ry.sdf -rw-rw-r-- root/root 1249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tba_ppv.sdf -rw-rw-r-- root/root 1249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tbb_ppv.sdf -rw-rw-r-- root/root 3788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tbc_1rz.sdf -rw-rw-r-- root/root 6162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tbh_78k.sdf -rw-rw-r-- root/root 2072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tbh_m2m.sdf -rw-rw-r-- root/root 4297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tbh_sao.sdf -rw-rw-r-- root/root 5181 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tbi_78v.sdf -rw-rw-r-- root/root 5286 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tbj_lhd.sdf -rw-rw-r-- root/root 3534 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tbm_79a.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tbo_78z.sdf -rw-rw-r-- root/root 4205 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tbp_7a4.sdf -rw-rw-r-- root/root 4420 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tc0_79y.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tc5_big.sdf -rw-rw-r-- root/root 3910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tc6_7a6.sdf -rw-rw-r-- root/root 3309 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tc7_mth.sdf -rw-rw-r-- root/root 3557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tc8_tdi.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tca_j55.sdf -rw-rw-r-- root/root 3968 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tcc_j56.sdf -rw-rw-r-- root/root 2358 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tcd_pc.sdf -rw-rw-r-- root/root 3331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tcj_79v.sdf -rw-rw-r-- root/root 5578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5td2_7ae.sdf -rw-rw-r-- root/root 11595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5td4_cey.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tdh_gdp.sdf -rw-rw-r-- root/root 6629 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5te0_xin.sdf -rw-rw-r-- root/root 3836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5te2_7b9.sdf -rw-rw-r-- root/root 3365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5te8_08j.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5teg_sam.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tei_m39.sdf -rw-rw-r-- root/root 5470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tel_7aj.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tem_pdc.sdf -rw-rw-r-- root/root 1452 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ten_7fn.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tep_7ax.sdf -rw-rw-r-- root/root 4627 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ter_7ay.sdf -rw-rw-r-- root/root 5127 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tex_7au.sdf -rw-rw-r-- root/root 3281 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tf5_7ar.sdf -rw-rw-r-- root/root 5057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tf9_7av.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tf9_anp.sdf -rw-rw-r-- root/root 3938 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tft_p6u.sdf -rw-rw-r-- root/root 4193 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tfu_p6m.sdf -rw-rw-r-- root/root 4764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tgz_ola.sdf -rw-rw-r-- root/root 5386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tgz_zdg.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ths_b3n.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tht_b3n.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5thu_b3n.sdf -rw-rw-r-- root/root 3530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ti3_7cg.sdf -rw-rw-r-- root/root 4039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ti7_7cq.sdf -rw-rw-r-- root/root 3753 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tiu_7cu.sdf -rw-rw-r-- root/root 7947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tjk_bga.sdf -rw-rw-r-- root/root 7418 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tjn_bgb.sdf -rw-rw-r-- root/root 6543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tjx_gbt.sdf -rw-rw-r-- root/root 1617 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tjy_pdc.sdf -rw-rw-r-- root/root 4493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tkb_7dj.sdf -rw-rw-r-- root/root 3759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tkd_7gl.sdf -rw-rw-r-- root/root 6569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tks_7dl.sdf -rw-rw-r-- root/root 6236 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tkt_7ds.sdf -rw-rw-r-- root/root 6402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tku_7dk.sdf -rw-rw-r-- root/root 4630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tkx_7dz.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tl9_gsh.sdf -rw-rw-r-- root/root 4989 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tld_6wv.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tle_rd1.sdf -rw-rw-r-- root/root 3967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tlf_7ef.sdf -rw-rw-r-- root/root 1408 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tlh_mdn.sdf -rw-rw-r-- root/root 2967 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tlh_rd2.sdf -rw-rw-r-- root/root 3897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tlm_7em.sdf -rw-rw-r-- root/root 3814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tln_ban.sdf -rw-rw-r-- root/root 4257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tlo_7ee.sdf -rw-rw-r-- root/root 2870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tlw_rd3.sdf -rw-rw-r-- root/root 2795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tlz_n26.sdf -rw-rw-r-- root/root 4128 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tma_tpp.sdf -rw-rw-r-- root/root 3543 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tmd_7e0.sdf -rw-rw-r-- root/root 7174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tmg_7ek.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tmg_pge.sdf -rw-rw-r-- root/root 7340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tmk_7ej.sdf -rw-rw-r-- root/root 4439 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tmo_7m1.sdf -rw-rw-r-- root/root 4450 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tmq_7m7.sdf -rw-rw-r-- root/root 3912 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tmr_7fd.sdf -rw-rw-r-- root/root 4279 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tms_7fg.sdf -rw-rw-r-- root/root 5337 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tmw_7fp.sdf -rw-rw-r-- root/root 4257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tmz_7fq.sdf -rw-rw-r-- root/root 3914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tn1_7fr.sdf -rw-rw-r-- root/root 4080 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tn3_7fs.sdf -rw-rw-r-- root/root 5962 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5to8_7fm.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5toa_est.sdf -rw-rw-r-- root/root 5064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tob_yam.sdf -rw-rw-r-- root/root 3698 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5toe_7gk.sdf -rw-rw-r-- root/root 3305 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tp0_brn.sdf -rw-rw-r-- root/root 6557 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tpg_7h5.sdf -rw-rw-r-- root/root 4162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tq3_7gz.sdf -rw-rw-r-- root/root 3323 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tq4_7gy.sdf -rw-rw-r-- root/root 4409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tq5_7gx.sdf -rw-rw-r-- root/root 4625 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tq6_7gv.sdf -rw-rw-r-- root/root 5816 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tq7_7gt.sdf -rw-rw-r-- root/root 6677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tq8_7gs.sdf -rw-rw-r-- root/root 6663 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tqe_7kq.sdf -rw-rw-r-- root/root 6569 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tqf_7kr.sdf -rw-rw-r-- root/root 7476 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tqg_7ks.sdf -rw-rw-r-- root/root 5199 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tqh_7j2.sdf -rw-rw-r-- root/root 4209 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tr6_7kg.sdf -rw-rw-r-- root/root 6515 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5trf_7hc.sdf -rw-rw-r-- root/root 3970 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5trh_7hl.sdf -rw-rw-r-- root/root 4077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tri_7hm.sdf -rw-rw-r-- root/root 4606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5trj_7ho.sdf -rw-rw-r-- root/root 4595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5trk_7hh.sdf -rw-rw-r-- root/root 2081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tso_phn.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tt5_nad.sdf -rw-rw-r-- root/root 4552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tt7_7kf.sdf -rw-rw-r-- root/root 4429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ttf_7kz.sdf -rw-rw-r-- root/root 4429 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ttg_7kz.sdf -rw-rw-r-- root/root 4046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tto_7kk.sdf -rw-rw-r-- root/root 5234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tuq_j63.sdf -rw-rw-r-- root/root 3958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tur_7lk.sdf -rw-rw-r-- root/root 8426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tux_ech.sdf -rw-rw-r-- root/root 5155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tuy_7l6.sdf -rw-rw-r-- root/root 5155 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tuz_7l6.sdf -rw-rw-r-- root/root 8519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tv0_eq3.sdf -rw-rw-r-- root/root 4063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tvj_7lf.sdf -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tvj_coa.sdf -rw-rw-r-- root/root 4444 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tvn_7ld.sdf -rw-rw-r-- root/root 5814 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tvt_7lv.sdf -rw-rw-r-- root/root 6464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tvy_xpe.sdf -rw-rw-r-- root/root 4378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tw3_7n1.sdf -rw-rw-r-- root/root 5639 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5twl_h91.sdf -rw-rw-r-- root/root 5907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5twn_7ng.sdf -rw-rw-r-- root/root 4235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5two_7mv.sdf -rw-rw-r-- root/root 9685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5twx_7p7.sdf -rw-rw-r-- root/root 5380 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5twy_7ly.sdf -rw-rw-r-- root/root 6009 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tx3_7my.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tx5_7mj.sdf -rw-rw-r-- root/root 1819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tyh_7o4.sdf -rw-rw-r-- root/root 4932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tz1_vt1.sdf -rw-rw-r-- root/root 4682 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tz3_7om.sdf -rw-rw-r-- root/root 5114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tz9_7sd.sdf -rw-rw-r-- root/root 4505 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tza_7og.sdf -rw-rw-r-- root/root 3983 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tzh_7op.sdf -rw-rw-r-- root/root 4786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tzo_7v7.sdf -rw-rw-r-- root/root 3994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tzw_7p4.sdf -rw-rw-r-- root/root 3995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tzx_7oy.sdf -rw-rw-r-- root/root 6687 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tzy_7os.sdf -rw-rw-r-- root/root 6168 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tzy_mk6.sdf -rw-rw-r-- root/root 3995 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5tzz_7oj.sdf -rw-rw-r-- root/root 3994 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u00_7ov.sdf -rw-rw-r-- root/root 5573 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u09_7dy.sdf -rw-rw-r-- root/root 2311 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u0l_8yp.sdf -rw-rw-r-- root/root 1783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u0v_7vj.sdf -rw-rw-r-- root/root 1800 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u0w_9mg.sdf -rw-rw-r-- root/root 2175 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u0y_7pj.sdf -rw-rw-r-- root/root 3084 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u0z_7pm.sdf -rw-rw-r-- root/root 3261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u10_pt1.sdf -rw-rw-r-- root/root 2518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u11_7ps.sdf -rw-rw-r-- root/root 2813 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u12_5ru.sdf -rw-rw-r-- root/root 3336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u13_yh5.sdf -rw-rw-r-- root/root 3530 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u14_7pv.sdf -rw-rw-r-- root/root 2786 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u1r_dif.sdf -rw-rw-r-- root/root 3497 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u27_p65.sdf -rw-rw-r-- root/root 3993 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u28_82v.sdf -rw-rw-r-- root/root 3897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u2c_82y.sdf -rw-rw-r-- root/root 4240 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u2e_837.sdf -rw-rw-r-- root/root 3897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u2f_82y.sdf -rw-rw-r-- root/root 4553 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u2m_7t7.sdf -rw-rw-r-- root/root 4990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u2n_7ta.sdf -rw-rw-r-- root/root 3788 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u2s_1rz.sdf -rw-rw-r-- root/root 3810 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u2t_1ry.sdf -rw-rw-r-- root/root 5355 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u39_c90.sdf -rw-rw-r-- root/root 3975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u3b_7td.sdf -rw-rw-r-- root/root 2457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u3e_mma.sdf -rw-rw-r-- root/root 3310 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u3f_7ts.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u3i_7sj.sdf -rw-rw-r-- root/root 6029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u3q_7uj.sdf -rw-rw-r-- root/root 5768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u3r_7v1.sdf -rw-rw-r-- root/root 5768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u3s_7v4.sdf -rw-rw-r-- root/root 5767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u3t_7uy.sdf -rw-rw-r-- root/root 6135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u3u_7tv.sdf -rw-rw-r-- root/root 6135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u3v_7ty.sdf -rw-rw-r-- root/root 5876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u3w_7u1.sdf -rw-rw-r-- root/root 5792 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u3x_7u4.sdf -rw-rw-r-- root/root 5615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u3y_7u7.sdf -rw-rw-r-- root/root 5615 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u3z_7ua.sdf -rw-rw-r-- root/root 6157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u40_7ud.sdf -rw-rw-r-- root/root 6156 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u41_7ug.sdf -rw-rw-r-- root/root 6229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u42_7sm.sdf -rw-rw-r-- root/root 6229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u43_7ss.sdf -rw-rw-r-- root/root 5905 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u44_7sv.sdf -rw-rw-r-- root/root 5885 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u45_7sy.sdf -rw-rw-r-- root/root 4402 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u46_7t1.sdf -rw-rw-r-- root/root 2964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u48_s4b.sdf -rw-rw-r-- root/root 2975 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u4a_7vg.sdf -rw-rw-r-- root/root 3058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u4c_xbs.sdf -rw-rw-r-- root/root 2798 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u4d_xlo.sdf -rw-rw-r-- root/root 3069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u4e_xlb.sdf -rw-rw-r-- root/root 6124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u4x_7vm.sdf -rw-rw-r-- root/root 4196 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u4x_sah.sdf -rw-rw-r-- root/root 4257 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u5h_7vv.sdf -rw-rw-r-- root/root 3077 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u5k_7vy.sdf -rw-rw-r-- root/root 4334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u5l_7va.sdf -rw-rw-r-- root/root 3466 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u5t_7w7.sdf -rw-rw-r-- root/root 1620 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u5v_7wa.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u5w_7w1.sdf -rw-rw-r-- root/root 1880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u5y_7w4.sdf -rw-rw-r-- root/root 2057 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u5z_7vp.sdf -rw-rw-r-- root/root 1974 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u60_7vs.sdf -rw-rw-r-- root/root 3407 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u62_7wd.sdf -rw-rw-r-- root/root 5061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u69_lqd.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u6b_7ys.sdf -rw-rw-r-- root/root 4952 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u6c_7ys.sdf -rw-rw-r-- root/root 5614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u6d_7xg.sdf -rw-rw-r-- root/root 4282 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u6i_81y.sdf -rw-rw-r-- root/root 7052 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u6j_82j.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u6m_sal.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u6n_sal.sdf -rw-rw-r-- root/root 1441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u6s_7wv.sdf -rw-rw-r-- root/root 4440 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u6v_7wy.sdf -rw-rw-r-- root/root 2624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u6x_p6a.sdf -rw-rw-r-- root/root 2874 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u72_7zv.sdf -rw-rw-r-- root/root 2807 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u77_ndb.sdf -rw-rw-r-- root/root 4723 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u7i_7xs.sdf -rw-rw-r-- root/root 4180 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u7j_7xv.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u7k_7y1.sdf -rw-rw-r-- root/root 5628 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u7l_7y4.sdf -rw-rw-r-- root/root 4599 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u7r_81g.sdf -rw-rw-r-- root/root 5643 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u86_81v.sdf -rw-rw-r-- root/root 4728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u8a_82d.sdf -rw-rw-r-- root/root 5085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u8f_82g.sdf -rw-rw-r-- root/root 5259 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u94_g93.sdf -rw-rw-r-- root/root 3587 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u98_1kx.sdf -rw-rw-r-- root/root 5519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u9d_83p.sdf -rw-rw-r-- root/root 1249 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u9h_ppv.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u9i_far.sdf -rw-rw-r-- root/root 4766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5u9j_ger.sdf -rw-rw-r-- root/root 3559 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uab_84m.sdf -rw-rw-r-- root/root 4634 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uad_84p.sdf -rw-rw-r-- root/root 2535 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uap_82s.sdf -rw-rw-r-- root/root 6321 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ubg_prt.sdf -rw-rw-r-- root/root 4339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ubh_atp.sdf -rw-rw-r-- root/root 3219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ubi_prp.sdf -rw-rw-r-- root/root 6017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ubr_85s.sdf -rw-rw-r-- root/root 6017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ubt_85s.sdf -rw-rw-r-- root/root 2524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uda_cae.sdf -rw-rw-r-- root/root 6785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uda_cm5.sdf -rw-rw-r-- root/root 3502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5udr_nmn.sdf -rw-rw-r-- root/root 3688 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ue4_5xq.sdf -rw-rw-r-- root/root 4756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ue9_fmn.sdf -rw-rw-r-- root/root 2369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uec_85d.sdf -rw-rw-r-- root/root 4701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ueo_87g.sdf -rw-rw-r-- root/root 2839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uep_88p.sdf -rw-rw-r-- root/root 4596 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ueq_87m.sdf -rw-rw-r-- root/root 4668 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uer_87p.sdf -rw-rw-r-- root/root 3510 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ues_87s.sdf -rw-rw-r-- root/root 2496 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uet_87v.sdf -rw-rw-r-- root/root 4325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ueu_0s6.sdf -rw-rw-r-- root/root 2756 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uev_88y.sdf -rw-rw-r-- root/root 4395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uew_87d.sdf -rw-rw-r-- root/root 5470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uex_89d.sdf -rw-rw-r-- root/root 5103 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uey_88m.sdf -rw-rw-r-- root/root 3593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uez_89g.sdf -rw-rw-r-- root/root 2673 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uf0_89j.sdf -rw-rw-r-- root/root 2369 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ufg_85d.sdf -rw-rw-r-- root/root 6785 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ufg_cm5.sdf -rw-rw-r-- root/root 3223 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ufj_86m.sdf -rw-rw-r-- root/root 5819 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ufo_87j.sdf -rw-rw-r-- root/root 3554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ufp_86d.sdf -rw-rw-r-- root/root 5318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ufr_88j.sdf -rw-rw-r-- root/root 4964 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ufu_85v.sdf -rw-rw-r-- root/root 1891 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ug2_86j.sdf -rw-rw-r-- root/root 6325 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uga_8bm.sdf -rw-rw-r-- root/root 3392 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ugf_im5.sdf -rw-rw-r-- root/root 3492 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ugi_equ.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ugl_anp.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ugn_8cp.sdf -rw-rw-r-- root/root 4131 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ugp_8cp.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ugs_nad.sdf -rw-rw-r-- root/root 3958 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ugs_xt5.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ugt_nad.sdf -rw-rw-r-- root/root 3708 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ugt_xtw.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ugu_nad.sdf -rw-rw-r-- root/root 3803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ugu_xtv.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ugx_acp.sdf -rw-rw-r-- root/root 5979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uhi_8a4.sdf -rw-rw-r-- root/root 2911 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uhl_8bj.sdf -rw-rw-r-- root/root 4027 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uho_oan.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ui0_acp.sdf -rw-rw-r-- root/root 4122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uig_8d1.sdf -rw-rw-r-- root/root 2727 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uih_8cv.sdf -rw-rw-r-- root/root 3014 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uio_8dm.sdf -rw-rw-r-- root/root 1328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uio_lg3.sdf -rw-rw-r-- root/root 2378 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uiq_8bv.sdf -rw-rw-r-- root/root 3947 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uir_8by.sdf -rw-rw-r-- root/root 4268 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uis_8c1.sdf -rw-rw-r-- root/root 4189 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uit_8cd.sdf -rw-rw-r-- root/root 4200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uiu_8cg.sdf -rw-rw-r-- root/root 4060 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uj2_8b4.sdf -rw-rw-r-- root/root 3882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uj3_ce4.sdf -rw-rw-r-- root/root 3289 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uj4_sfr.sdf -rw-rw-r-- root/root 8100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ujb_6ak.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ujf_mmv.sdf -rw-rw-r-- root/root 5202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uk8_8dv.sdf -rw-rw-r-- root/root 3448 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ukf_8e1.sdf -rw-rw-r-- root/root 5022 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ukj_3k6.sdf -rw-rw-r-- root/root 5470 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ukk_8dj.sdf -rw-rw-r-- root/root 5812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ukl_six.sdf -rw-rw-r-- root/root 5292 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ukm_t0e.sdf -rw-rw-r-- root/root 4932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ul0_vt1.sdf -rw-rw-r-- root/root 5079 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ul1_8dy.sdf -rw-rw-r-- root/root 4357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ul5_8d7.sdf -rw-rw-r-- root/root 4123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ula_5mj.sdf -rw-rw-r-- root/root 4190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ulg_8e4.sdf -rw-rw-r-- root/root 7138 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uli_0wd.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uls_anp.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ulw_ttp.sdf -rw-rw-r-- root/root 4904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5um6_8ea.sdf -rw-rw-r-- root/root 6872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5unf_8es.sdf -rw-rw-r-- root/root 7133 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5unh_8em.sdf -rw-rw-r-- root/root 4017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5unt_8j1.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5unt_h4b.sdf -rw-rw-r-- root/root 4183 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5unv_8j7.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5unv_h4b.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5unw_8f7.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5unw_h4b.sdf -rw-rw-r-- root/root 4382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5unx_8f1.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5unx_h4b.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uo8_8ev.sdf -rw-rw-r-- root/root 4277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uo9_8j4.sdf -rw-rw-r-- root/root 4122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uoa_8ey.sdf -rw-rw-r-- root/root 4642 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uob_m4r.sdf -rw-rw-r-- root/root 4980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uoo_8fv.sdf -rw-rw-r-- root/root 5890 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uop_8g4.sdf -rw-rw-r-- root/root 5005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uoq_8g1.sdf -rw-rw-r-- root/root 5547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uor_8gv.sdf -rw-rw-r-- root/root 2213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uos_171.sdf -rw-rw-r-- root/root 4752 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uox_8gy.sdf -rw-rw-r-- root/root 5485 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uoy_8hm.sdf -rw-rw-r-- root/root 3725 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5up0_8hp.sdf -rw-rw-r-- root/root 3784 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5up3_8gs.sdf -rw-rw-r-- root/root 4836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5upe_8hy.sdf -rw-rw-r-- root/root 5176 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5upf_8hv.sdf -rw-rw-r-- root/root 4474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5upg_8gj.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uph_clr.sdf -rw-rw-r-- root/root 4265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5upj_uin.sdf -rw-rw-r-- root/root 3071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5upu_6q9.sdf -rw-rw-r-- root/root 4024 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5upv_8kv.sdf -rw-rw-r-- root/root 2494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uq0_wp1.sdf -rw-rw-r-- root/root 2822 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uqt_agi.sdf -rw-rw-r-- root/root 3960 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uqv_8jm.sdf -rw-rw-r-- root/root 4207 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uqx_8jp.sdf -rw-rw-r-- root/root 6122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ur1_yy9.sdf -rw-rw-r-- root/root 5374 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ur3_8oy.sdf -rw-rw-r-- root/root 3921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ur5_8kp.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ur6_8km.sdf -rw-rw-r-- root/root 3795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ur9_myr.sdf -rw-rw-r-- root/root 4972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ura_8ks.sdf -rw-rw-r-- root/root 5696 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5urj_8ls.sdf -rw-rw-r-- root/root 5135 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5urk_8lp.sdf -rw-rw-r-- root/root 6397 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5urv_ner.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ury_pam.sdf -rw-rw-r-- root/root 4276 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5urz_bog.sdf -rw-rw-r-- root/root 4870 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5usq_8ly.sdf -rw-rw-r-- root/root 3624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5usy_ske.sdf -rw-rw-r-- root/root 3624 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5usz_ske.sdf -rw-rw-r-- root/root 4670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ut0_35r.sdf -rw-rw-r-- root/root 4630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ut1_7dz.sdf -rw-rw-r-- root/root 4751 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ut2_3yt.sdf -rw-rw-r-- root/root 2705 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ut3_ik1.sdf -rw-rw-r-- root/root 5850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ut4_dqx.sdf -rw-rw-r-- root/root 4859 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ut5_2hb.sdf -rw-rw-r-- root/root 3353 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ut6_8my.sdf -rw-rw-r-- root/root 5728 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ute_8m4.sdf -rw-rw-r-- root/root 5385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5utn_8ma.sdf -rw-rw-r-- root/root 4630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uu1_7dz.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uv1_0fv.sdf -rw-rw-r-- root/root 3517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uv2_la6.sdf -rw-rw-r-- root/root 5761 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uv3_8n4.sdf -rw-rw-r-- root/root 4502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uvc_8pv.sdf -rw-rw-r-- root/root 4630 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uvf_7dz.sdf -rw-rw-r-- root/root 5824 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uvp_8n7.sdf -rw-rw-r-- root/root 4563 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uvs_8o1.sdf -rw-rw-r-- root/root 4930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uvt_8nv.sdf -rw-rw-r-- root/root 4670 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uvu_8o4.sdf -rw-rw-r-- root/root 4658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uvv_8ns.sdf -rw-rw-r-- root/root 4701 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uvw_8ng.sdf -rw-rw-r-- root/root 4419 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uvx_8nm.sdf -rw-rw-r-- root/root 3700 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uvy_8nj.sdf -rw-rw-r-- root/root 3322 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uvz_8np.sdf -rw-rw-r-- root/root 4821 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uwf_8q7.sdf -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uwg_pam.sdf -rw-rw-r-- root/root 5645 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uwk_8om.sdf -rw-rw-r-- root/root 5635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uwl_8oj.sdf -rw-rw-r-- root/root 5636 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uwm_8oa.sdf -rw-rw-r-- root/root 5021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uwn_8o7.sdf -rw-rw-r-- root/root 4517 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uwp_gnp.sdf -rw-rw-r-- root/root 4594 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uy6_8r4.sdf -rw-rw-r-- root/root 4299 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5uyj_8r7.sdf -rw-rw-r-- root/root 1547 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v0u_8qg.sdf -rw-rw-r-- root/root 3812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v0v_8qp.sdf -rw-rw-r-- root/root 3812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v0v_8qs.sdf -rw-rw-r-- root/root 2365 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v18_8uy.sdf -rw-rw-r-- root/root 2414 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v19_8v4.sdf -rw-rw-r-- root/root 4214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v1p_xc5.sdf -rw-rw-r-- root/root 3334 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v24_8v7.sdf -rw-rw-r-- root/root 1441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v2j_7wv.sdf -rw-rw-r-- root/root 1441 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v2k_7wv.sdf -rw-rw-r-- root/root 3631 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v35_far.sdf -rw-rw-r-- root/root 5464 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v3o_8w7.sdf -rw-rw-r-- root/root 5046 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v4w_8wm.sdf -rw-rw-r-- root/root 5437 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v4x_8wj.sdf -rw-rw-r-- root/root 7304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v4y_8fm.sdf -rw-rw-r-- root/root 5802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v56_836.sdf -rw-rw-r-- root/root 3862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v5n_edh.sdf -rw-rw-r-- root/root 6272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v5y_8x7.sdf -rw-rw-r-- root/root 7924 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v5z_1yn.sdf -rw-rw-r-- root/root 4507 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v60_acp.sdf -rw-rw-r-- root/root 3427 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v79_8y4.sdf -rw-rw-r-- root/root 2435 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v7a_8y7.sdf -rw-rw-r-- root/root 5982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v7t_91v.sdf -rw-rw-r-- root/root 4271 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v7w_91j.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v82_96y.sdf -rw-rw-r-- root/root 5780 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v84_96v.sdf -rw-rw-r-- root/root 3071 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v8h_8zj.sdf -rw-rw-r-- root/root 3685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v8j_8zs.sdf -rw-rw-r-- root/root 4500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v8n_8zp.sdf -rw-rw-r-- root/root 2188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v8o_8zm.sdf -rw-rw-r-- root/root 2519 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v8p_90g.sdf -rw-rw-r-- root/root 3146 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v8q_97a.sdf -rw-rw-r-- root/root 2516 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v8r_90j.sdf -rw-rw-r-- root/root 2776 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v8u_90m.sdf -rw-rw-r-- root/root 7170 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v8v_90d.sdf -rw-rw-r-- root/root 3976 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v9h_gdp.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v9h_pga.sdf -rw-rw-r-- root/root 3572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v9p_90s.sdf -rw-rw-r-- root/root 3904 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5v9t_90v.sdf -rw-rw-r-- root/root 5614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5val_92d.sdf -rw-rw-r-- root/root 6202 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vam_92j.sdf -rw-rw-r-- root/root 6901 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vb5_92a.sdf -rw-rw-r-- root/root 6582 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vb6_927.sdf -rw-rw-r-- root/root 6313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vb7_921.sdf -rw-rw-r-- root/root 3683 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vbe_92v.sdf -rw-rw-r-- root/root 4871 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vbu_3qz.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vc3_db8.sdf -rw-rw-r-- root/root 5917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vc4_xzn.sdf -rw-rw-r-- root/root 5658 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vc5_96m.sdf -rw-rw-r-- root/root 5982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vc6_p48.sdf -rw-rw-r-- root/root 8802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vce_rit.sdf -rw-rw-r-- root/root 7506 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vcg_08y.sdf -rw-rw-r-- root/root 5360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vcv_1n1.sdf -rw-rw-r-- root/root 5123 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vcw_93j.sdf -rw-rw-r-- root/root 6370 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vcx_h8h.sdf -rw-rw-r-- root/root 5916 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vcy_db8.sdf -rw-rw-r-- root/root 5917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vcz_xzn.sdf -rw-rw-r-- root/root 6272 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vd0_8x7.sdf -rw-rw-r-- root/root 5982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vd1_p48.sdf -rw-rw-r-- root/root 5409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vd2_34w.sdf -rw-rw-r-- root/root 6376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vdo_1yc.sdf -rw-rw-r-- root/root 6633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vdq_9bg.sdf -rw-rw-r-- root/root 6126 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vdr_9b7.sdf -rw-rw-r-- root/root 5877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vds_9bj.sdf -rw-rw-r-- root/root 6376 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vdt_4bw.sdf -rw-rw-r-- root/root 1796 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vdu_9bs.sdf -rw-rw-r-- root/root 1834 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vdv_9bv.sdf -rw-rw-r-- root/root 2536 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vdw_9by.sdf -rw-rw-r-- root/root 5609 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ved_stu.sdf -rw-rw-r-- root/root 5339 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vee_981.sdf -rw-rw-r-- root/root 3394 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vef_m77.sdf -rw-rw-r-- root/root 5928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vew_97y.sdf -rw-rw-r-- root/root 6566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vex_97v.sdf -rw-rw-r-- root/root 4214 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vez_xc5.sdf -rw-rw-r-- root/root 7579 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vfc_9ba.sdf -rw-rw-r-- root/root 2331 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vfm_me2.sdf -rw-rw-r-- root/root 4917 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vgi_9dj.sdf -rw-rw-r-- root/root 6121 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vgo_9b1.sdf -rw-rw-r-- root/root 1815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vgo_pg0.sdf -rw-rw-r-- root/root 2081 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vj5_phn.sdf -rw-rw-r-- root/root 1882 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vjg_0bp.sdf -rw-rw-r-- root/root 9344 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vkc_9ea.sdf -rw-rw-r-- root/root 3423 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vkn_q6f.sdf -rw-rw-r-- root/root 3047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vkp_q5f.sdf -rw-rw-r-- root/root 2965 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vkr_apr.sdf -rw-rw-r-- root/root 1768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vl0_bnf.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vl0_nai.sdf -rw-rw-r-- root/root 6626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vlo_9ej.sdf -rw-rw-r-- root/root 5781 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vlr_9em.sdf -rw-rw-r-- root/root 3122 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vm5_0jo.sdf -rw-rw-r-- root/root 3925 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vmp_9fj.sdf -rw-rw-r-- root/root 6678 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vn1_nai.sdf -rw-rw-r-- root/root 2411 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vn1_nwh.sdf -rw-rw-r-- root/root 4847 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vo1_9fs.sdf -rw-rw-r-- root/root 5000 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vo2_9fv.sdf -rw-rw-r-- root/root 4990 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vo6_9j4.sdf -rw-rw-r-- root/root 4948 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vom_9gy.sdf -rw-rw-r-- root/root 4593 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vp0_9gj.sdf -rw-rw-r-- root/root 7537 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vpm_9g7.sdf -rw-rw-r-- root/root 5493 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vqq_9jp.sdf -rw-rw-r-- root/root 5577 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vqr_9kg.sdf -rw-rw-r-- root/root 5317 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vqs_9kd.sdf -rw-rw-r-- root/root 5494 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vqt_9k7.sdf -rw-rw-r-- root/root 4542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vr7_a1f.sdf -rw-rw-r-- root/root 4542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vro_a7s.sdf -rw-rw-r-- root/root 7004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vrp_9jd.sdf -rw-rw-r-- root/root 4225 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vrw_ttp.sdf -rw-rw-r-- root/root 4552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vs5_9j7.sdf -rw-rw-r-- root/root 5216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vsc_9hj.sdf -rw-rw-r-- root/root 5216 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vsd_9hj.sdf -rw-rw-r-- root/root 5581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vse_9hg.sdf -rw-rw-r-- root/root 5581 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vsf_9hg.sdf -rw-rw-r-- root/root 5055 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vsj_9hv.sdf -rw-rw-r-- root/root 4552 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vsq_a2v.sdf -rw-rw-r-- root/root 4572 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vsr_af0.sdf -rw-rw-r-- root/root 3783 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vt1_9js.sdf -rw-rw-r-- root/root 4795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vt4_9kj.sdf -rw-rw-r-- root/root 4542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vt7_a1c.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vu8_9o7.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vua_8gx.sdf -rw-rw-r-- root/root 4690 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vub_8gu.sdf -rw-rw-r-- root/root 4773 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vuc_8gr.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vuk_9p1.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vuk_h4b.sdf -rw-rw-r-- root/root 4100 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vun_9om.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vun_h4b.sdf -rw-rw-r-- root/root 4194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vuo_9os.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vuo_h4b.sdf -rw-rw-r-- root/root 3851 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vup_9p4.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vup_h4b.sdf -rw-rw-r-- root/root 3779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vus_9pm.sdf -rw-rw-r-- root/root 2930 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vus_h4b.sdf -rw-rw-r-- root/root 4360 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vv6_p64.sdf -rw-rw-r-- root/root 3840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vv7_xh8.sdf -rw-rw-r-- root/root 4028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vv8_9p7.sdf -rw-rw-r-- root/root 4028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vv9_9og.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vva_9oj.sdf -rw-rw-r-- root/root 3779 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vvg_9pm.sdf -rw-rw-r-- root/root 3157 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vvi_6db.sdf -rw-rw-r-- root/root 3768 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vvn_p94.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vwq_pmp.sdf -rw-rw-r-- root/root 3837 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vwr_pl6.sdf -rw-rw-r-- root/root 4674 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vyh_fol.sdf -rw-rw-r-- root/root 5633 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vyq_0fx.sdf -rw-rw-r-- root/root 3767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5vyq_tyd.sdf -rw-rw-r-- root/root 3434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w0c_9w6.sdf -rw-rw-r-- root/root 6265 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w2e_9vy.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w2i_adp.sdf -rw-rw-r-- root/root 4659 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w49_9w1.sdf -rw-rw-r-- root/root 4714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w4b_9w4.sdf -rw-rw-r-- root/root 3618 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w4w_9wg.sdf -rw-rw-r-- root/root 2720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w5j_9ws.sdf -rw-rw-r-- root/root 5886 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w5o_9xa.sdf -rw-rw-r-- root/root 4526 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w71_9ym.sdf -rw-rw-r-- root/root 2483 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w71_plp.sdf -rw-rw-r-- root/root 4326 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w84_9yy.sdf -rw-rw-r-- root/root 4940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w85_9ys.sdf -rw-rw-r-- root/root 5803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w86_9yv.sdf -rw-rw-r-- root/root 4474 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w8v_9yp.sdf -rw-rw-r-- root/root 4985 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5w9d_9xy.sdf -rw-rw-r-- root/root 4565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wa8_9za.sdf -rw-rw-r-- root/root 4565 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wa9_9zd.sdf -rw-rw-r-- root/root 3277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wal_9zs.sdf -rw-rw-r-- root/root 6719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wb6_9zm.sdf -rw-rw-r-- root/root 3864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wbe_63x.sdf -rw-rw-r-- root/root 3284 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wbm_a4g.sdf -rw-rw-r-- root/root 3972 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wbn_9zv.sdf -rw-rw-r-- root/root 2835 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wbo_a1y.sdf -rw-rw-r-- root/root 1909 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wbp_a2j.sdf -rw-rw-r-- root/root 3762 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wbq_a3j.sdf -rw-rw-r-- root/root 4977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wbr_a3y.sdf -rw-rw-r-- root/root 3722 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wbv_9zy.sdf -rw-rw-r-- root/root 1980 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wbx_ajy.sdf -rw-rw-r-- root/root 4114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wbz_a4j.sdf -rw-rw-r-- root/root 1720 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wc5_ajv.sdf -rw-rw-r-- root/root 6759 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wcg_a4m.sdf -rw-rw-r-- root/root 5716 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wdy_a6s.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wdy_anp.sdf -rw-rw-r-- root/root 5747 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5we8_a7y.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5we8_anp.sdf -rw-rw-r-- root/root 3277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wev_9zs.sdf -rw-rw-r-- root/root 4069 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wey_2m4.sdf -rw-rw-r-- root/root 3291 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5whc_ajj.sdf -rw-rw-r-- root/root 2177 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5whw_bcn.sdf -rw-rw-r-- root/root 4809 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wiv_aqd.sdf -rw-rw-r-- root/root 2112 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wjh_mha.sdf -rw-rw-r-- root/root 2544 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wk7_cah.sdf -rw-rw-r-- root/root 8839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wke_cuy.sdf -rw-rw-r-- root/root 11163 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wke_p50.sdf -rw-rw-r-- root/root 8839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wkg_cuy.sdf -rw-rw-r-- root/root 10290 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wkg_d21.sdf -rw-rw-r-- root/root 8839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wki_cuy.sdf -rw-rw-r-- root/root 10714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wki_d3d.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wl0_21g.sdf -rw-rw-r-- root/root 8839 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wl1_cuy.sdf -rw-rw-r-- root/root 10714 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wl1_d3d.sdf -rw-rw-r-- root/root 6996 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wlw_8q1.sdf -rw-rw-r-- root/root 4049 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wmb_dcp.sdf -rw-rw-r-- root/root 3520 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wn8_bbj.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wnx_sgt.sdf -rw-rw-r-- root/root 3987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wny_b7p.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wnz_b7j.sdf -rw-rw-r-- root/root 4164 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wo0_b7a.sdf -rw-rw-r-- root/root 4029 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wo4_b7v.sdf -rw-rw-r-- root/root 3501 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wpb_b8p.sdf -rw-rw-r-- root/root 6154 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wqa_j20.sdf -rw-rw-r-- root/root 6143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wqg_7mi.sdf -rw-rw-r-- root/root 6143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wqh_7wu.sdf -rw-rw-r-- root/root 6143 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wqh_7wx.sdf -rw-rw-r-- root/root 6390 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wqi_7x0.sdf -rw-rw-r-- root/root 6556 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wr7_rch.sdf -rw-rw-r-- root/root 4815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wre_7tl.sdf -rw-rw-r-- root/root 5635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wrq_7tx.sdf -rw-rw-r-- root/root 5213 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wry_4yr.sdf -rw-rw-r-- root/root 3061 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wrz_7u3.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ws0_7u6.sdf -rw-rw-r-- root/root 3238 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ws1_7u9.sdf -rw-rw-r-- root/root 4340 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ws7_6u4.sdf -rw-rw-r-- root/root 4888 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wtc_7ul.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wuk_73k.sdf -rw-rw-r-- root/root 1857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wv1_rib.sdf -rw-rw-r-- root/root 3648 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wy9_1pg.sdf -rw-rw-r-- root/root 1815 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wy9_pg0.sdf -rw-rw-r-- root/root 4235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wya_7vo.sdf -rw-rw-r-- root/root 4234 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wyf_ilp.sdf -rw-rw-r-- root/root 2876 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wyx_cu8.sdf -rw-rw-r-- root/root 2961 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5wyz_7vf.sdf -rw-rw-r-- root/root 5173 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x0r_4wh.sdf -rw-rw-r-- root/root 3883 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x17_adp.sdf -rw-rw-r-- root/root 2706 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x1v_7xx.sdf -rw-rw-r-- root/root 5702 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x1w_7y0.sdf -rw-rw-r-- root/root 5443 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x21_pum.sdf -rw-rw-r-- root/root 4836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x23_lsn.sdf -rw-rw-r-- root/root 4836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x24_lsn.sdf -rw-rw-r-- root/root 3900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x2w_3lm.sdf -rw-rw-r-- root/root 3382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x2x_4lm.sdf -rw-rw-r-- root/root 3900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x2z_3lm.sdf -rw-rw-r-- root/root 3382 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x30_4lm.sdf -rw-rw-r-- root/root 3817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x30_7xf.sdf -rw-rw-r-- root/root 2153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x4m_7zf.sdf -rw-rw-r-- root/root 2247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x4n_7zl.sdf -rw-rw-r-- root/root 5064 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x4o_yam.sdf -rw-rw-r-- root/root 2542 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x4p_7zo.sdf -rw-rw-r-- root/root 3805 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x4q_7z6.sdf -rw-rw-r-- root/root 2332 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x52_oca.sdf -rw-rw-r-- root/root 4923 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x5q_d16.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x5q_ump.sdf -rw-rw-r-- root/root 7858 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x60_fad.sdf -rw-rw-r-- root/root 5017 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x66_mtx.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x66_ump.sdf -rw-rw-r-- root/root 2979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x67_7z9.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x67_ump.sdf -rw-rw-r-- root/root 2828 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x69_7zc.sdf -rw-rw-r-- root/root 3048 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x69_ump.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x6e_gsh.sdf -rw-rw-r-- root/root 3626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x72_p59.sdf -rw-rw-r-- root/root 3626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x72_p69.sdf -rw-rw-r-- root/root 3626 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x73_p59.sdf -rw-rw-r-- root/root 7039 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x74_jay.sdf -rw-rw-r-- root/root 7395 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x7d_8vs.sdf -rw-rw-r-- root/root 1461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x7d_bu1.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x7d_clr.sdf -rw-rw-r-- root/root 6666 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x7e_7zu.sdf -rw-rw-r-- root/root 1693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x7z_bha.sdf -rw-rw-r-- root/root 1518 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x80_sal.sdf -rw-rw-r-- root/root 3424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x8f_amp.sdf -rw-rw-r-- root/root 9782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x8f_s0n.sdf -rw-rw-r-- root/root 9782 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x8g_s0n.sdf -rw-rw-r-- root/root 4372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x8i_sqz.sdf -rw-rw-r-- root/root 6709 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x8q_82r.sdf -rw-rw-r-- root/root 7212 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x8s_6q5.sdf -rw-rw-r-- root/root 6657 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x8x_82o.sdf -rw-rw-r-- root/root 7877 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x93_k87.sdf -rw-rw-r-- root/root 2850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x9o_80r.sdf -rw-rw-r-- root/root 3829 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5x9p_80l.sdf -rw-rw-r-- root/root 4550 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xaf_84f.sdf -rw-rw-r-- root/root 2831 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xdn_d10.sdf -rw-rw-r-- root/root 3351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xdn_d12.sdf -rw-rw-r-- root/root 3200 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xdt_zi7.sdf -rw-rw-r-- root/root 3649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xdu_zi6.sdf -rw-rw-r-- root/root 3649 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xdv_zi6.sdf -rw-rw-r-- root/root 2371 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xe1_iuu.sdf -rw-rw-r-- root/root 6566 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xez_97v.sdf -rw-rw-r-- root/root 3908 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xg4_pg6.sdf -rw-rw-r-- root/root 3004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xg4_que.sdf -rw-rw-r-- root/root 4372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xgm_85x.sdf -rw-rw-r-- root/root 4372 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xgn_85x.sdf -rw-rw-r-- root/root 5230 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xhc_87u.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xhe_pge.sdf -rw-rw-r-- root/root 2267 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xhk_ldr.sdf -rw-rw-r-- root/root 4144 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xi7_po7.sdf -rw-rw-r-- root/root 2352 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xim_sor.sdf -rw-rw-r-- root/root 1833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xin_xls.sdf -rw-rw-r-- root/root 4053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xkm_87r.sdf -rw-rw-r-- root/root 4524 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xlt_89o.sdf -rw-rw-r-- root/root 3803 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xlz_89u.sdf -rw-rw-r-- root/root 4058 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xp7_8c6.sdf -rw-rw-r-- root/root 6190 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xpr_k86.sdf -rw-rw-r-- root/root 2422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xqx_8cc.sdf -rw-rw-r-- root/root 6229 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xr8_8d0.sdf -rw-rw-r-- root/root 5804 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xra_8d3.sdf -rw-rw-r-- root/root 6564 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xra_clr.sdf -rw-rw-r-- root/root 5806 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xra_olc.sdf -rw-rw-r-- root/root 2174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xs2_8d6.sdf -rw-rw-r-- root/root 3455 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xt6_pda.sdf -rw-rw-r-- root/root 4836 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xxi_lsn.sdf -rw-rw-r-- root/root 5116 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xy1_8h0.sdf -rw-rw-r-- root/root 3744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xzb_a9y.sdf -rw-rw-r-- root/root 3827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xze_ae7.sdf -rw-rw-r-- root/root 3766 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xzg_aev.sdf -rw-rw-r-- root/root 5147 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5xzr_8j6.sdf -rw-rw-r-- root/root 5307 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5y2t_8lx.sdf -rw-rw-r-- root/root 2940 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5y3n_8mf.sdf -rw-rw-r-- root/root 3425 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5y3o_8m9.sdf -rw-rw-r-- root/root 1162 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5y48_ura.sdf -rw-rw-r-- root/root 4114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5y5n_8no.sdf -rw-rw-r-- root/root 5717 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5y9l_8r3.sdf -rw-rw-r-- root/root 1857 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5yar_rib.sdf -rw-rw-r-- root/root 1261 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5yas_fac.sdf -rw-rw-r-- root/root 2124 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5ydb_dqa.sdf -rw-rw-r-- root/root 5977 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5yjk_8vx.sdf -rw-rw-r-- root/root 5219 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/5yl4_8wr.sdf -rw-rw-r-- root/root 3102 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6ald_2fp.sdf -rw-rw-r-- root/root 4422 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6ao5_anp.sdf -rw-rw-r-- root/root 4498 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6aol_vc1.sdf -rw-rw-r-- root/root 4623 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6aom_p33.sdf -rw-rw-r-- root/root 4487 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6aom_vc5.sdf -rw-rw-r-- root/root 3101 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6au3_bwm.sdf -rw-rw-r-- root/root 6148 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6aud_bwy.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6ax9_btm.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6axm_btm.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6axn_btm.sdf -rw-rw-r-- root/root 3235 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6axu_btm.sdf -rw-rw-r-- root/root 4500 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6ayw_c2v.sdf -rw-rw-r-- root/root 5232 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6b0z_c81.sdf -rw-rw-r-- root/root 4328 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6b16_c7y.sdf -rw-rw-r-- root/root 2873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6b42_d5m.sdf -rw-rw-r-- root/root 4137 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6b4l_cjy.sdf -rw-rw-r-- root/root 6984 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6b4u_cn7.sdf -rw-rw-r-- root/root 6028 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6b4w_cq7.sdf -rw-rw-r-- root/root 2777 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6b6u_pg4.sdf -rw-rw-r-- root/root 7227 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6b89_nov.sdf -rw-rw-r-- root/root 7253 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6b8b_czj.sdf -rw-rw-r-- root/root 4606 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6b8j_65c.sdf -rw-rw-r-- root/root 4795 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6b8u_8en.sdf -rw-rw-r-- root/root 3273 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6b96_czv.sdf -rw-rw-r-- root/root 3426 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6b97_czy.sdf -rw-rw-r-- root/root 1971 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6b98_d07.sdf -rw-rw-r-- root/root 6095 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bab_d0s.sdf -rw-rw-r-- root/root 5280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bcz_d7y.sdf -rw-rw-r-- root/root 5647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bd5_d7m.sdf -rw-rw-r-- root/root 5409 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bd6_80k.sdf -rw-rw-r-- root/root 6449 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bd7_d7j.sdf -rw-rw-r-- root/root 6982 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bd8_d81.sdf -rw-rw-r-- root/root 963 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bd9_pyr.sdf -rw-rw-r-- root/root 6578 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bdh_dev.sdf -rw-rw-r-- root/root 6827 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bdi_dej.sdf -rw-rw-r-- root/root 7194 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bdk_dj1.sdf -rw-rw-r-- root/root 6956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bdm_y83.sdf -rw-rw-r-- root/root 3745 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bk3_b2s.sdf -rw-rw-r-- root/root 4677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bku_dxv.sdf -rw-rw-r-- root/root 5293 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6ble_34u.sdf -rw-rw-r-- root/root 2035 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bmb_skm.sdf -rw-rw-r-- root/root 3186 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bn5_dzj.sdf -rw-rw-r-- root/root 5656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bn6_xgh.sdf -rw-rw-r-- root/root 4935 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bnj_wpg.sdf -rw-rw-r-- root/root 5656 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bns_xgh.sdf -rw-rw-r-- root/root 3595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bp0_e1d.sdf -rw-rw-r-- root/root 5297 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bql_bi9.sdf -rw-rw-r-- root/root 5646 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bqp_6t2.sdf -rw-rw-r-- root/root 6928 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bqq_r78.sdf -rw-rw-r-- root/root 6313 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6brc_e5j.sdf -rw-rw-r-- root/root 3595 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bru_e5m.sdf -rw-rw-r-- root/root 3724 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6btw_e8d.sdf -rw-rw-r-- root/root 3275 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6bu6_e8v.sdf -rw-rw-r-- root/root 2023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6cha_pba.sdf -rw-rw-r-- root/root 5430 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6cpa_zaf.sdf -rw-rw-r-- root/root 4031 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6egu_43y.sdf -rw-rw-r-- root/root 5188 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6eim_b6e.sdf -rw-rw-r-- root/root 3946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6eks_g39.sdf -rw-rw-r-- root/root 3892 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6eku_zmr.sdf -rw-rw-r-- root/root 2165 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6emi_pge.sdf -rw-rw-r-- root/root 5243 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6en5_bj2.sdf -rw-rw-r-- root/root 4220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6enc_bgw.sdf -rw-rw-r-- root/root 2459 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6end_bgk.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6enl_pga.sdf -rw-rw-r-- root/root 12979 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6enx_bjw.sdf -rw-rw-r-- root/root 12896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6eo0_bvt.sdf -rw-rw-r-- root/root 9826 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6eo9_2oj.sdf -rw-rw-r-- root/root 4936 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6ep4_dme.sdf -rw-rw-r-- root/root 5850 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6eql_2pe.sdf -rw-rw-r-- root/root 3601 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6eql_udp.sdf -rw-rw-r-- root/root 4172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6eqp_buw.sdf -rw-rw-r-- root/root 3953 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6eqq_h19.sdf -rw-rw-r-- root/root 86 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6eqq_unl.sdf -rw-rw-r-- root/root 5767 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6equ_bve.sdf -rw-rw-r-- root/root 5887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6esj_prm.sdf -rw-rw-r-- root/root 3576 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6esy_tfx.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6euv_21g.sdf -rw-rw-r-- root/root 4349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6euw_byb.sdf -rw-rw-r-- root/root 4349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6eux_byb.sdf -rw-rw-r-- root/root 4349 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6euy_byb.sdf -rw-rw-r-- root/root 6153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6ev5_byn.sdf -rw-rw-r-- root/root 6153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6ev6_byn.sdf -rw-rw-r-- root/root 5893 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6ev6_fzz.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6ev7_4lu.sdf -rw-rw-r-- root/root 6153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6ev9_byn.sdf -rw-rw-r-- root/root 7416 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6eva_4mj.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6evb_4lu.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6evc_4lu.sdf -rw-rw-r-- root/root 1830 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6evc_f5c.sdf -rw-rw-r-- root/root 6153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6evd_byn.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6eve_4lu.sdf -rw-rw-r-- root/root 6001 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6evf_4lu.sdf -rw-rw-r-- root/root 86 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6ex7_unl.sdf -rw-rw-r-- root/root 4812 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6ezq_c7k.sdf -rw-rw-r-- root/root 5920 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6fiv_3tl.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6gst_gsh.sdf -rw-rw-r-- root/root 5635 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6gsx_gps.sdf -rw-rw-r-- root/root 3357 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6gsy_gsh.sdf -rw-rw-r-- root/root 4481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6mht_sam.sdf -rw-rw-r-- root/root 2304 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6pah_dah.sdf -rw-rw-r-- root/root 1329 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6pfk_pga.sdf -rw-rw-r-- root/root 3393 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6std_ms2.sdf -rw-rw-r-- root/root 4005 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/6upj_niu.sdf -rw-rw-r-- root/root 1946 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/7acn_ict.sdf -rw-rw-r-- root/root 2220 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/7atj_fer.sdf -rw-rw-r-- root/root 6862 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/7cpa_fvf.sdf -rw-rw-r-- root/root 1680 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/7enl_2pg.sdf -rw-rw-r-- root/root 4433 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/7gch_lpf.sdf -rw-rw-r-- root/root 3461 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/7std_crp.sdf -rw-rw-r-- root/root 1504 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/7tim_pgh.sdf -rw-rw-r-- root/root 5734 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/7upj_inu.sdf -rw-rw-r-- root/root 4396 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/830c_rs1.sdf -rw-rw-r-- root/root 4288 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/8a3h_idc.sdf -rw-rw-r-- root/root 1889 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/8acn_nic.sdf -rw-rw-r-- root/root 4075 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/8at1_mal.sdf -rw-rw-r-- root/root 1318 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/8at1_pct.sdf -rw-rw-r-- root/root 4457 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/8cho_p4c.sdf -rw-rw-r-- root/root 5174 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/8cpa_agf.sdf -rw-rw-r-- root/root 2451 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/8cpp_tcm.sdf -rw-rw-r-- root/root 4356 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/8ico_azt.sdf -rw-rw-r-- root/root 4153 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/8icu_dad.sdf -rw-rw-r-- root/root 1489 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/8mht_du.sdf -rw-rw-r-- root/root 3191 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/8ruc_cap.sdf -rw-rw-r-- root/root 4385 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/966c_rs2.sdf -rw-rw-r-- root/root 2660 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/9aat_pmp.sdf -rw-rw-r-- root/root 5018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/9gss_gtx.sdf -rw-rw-r-- root/root 4247 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/9ica_stp.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/9ldb_nad.sdf -rw-rw-r-- root/root 6538 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/9ldt_nad.sdf -rw-rw-r-- root/root 880 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/9ldt_oxm.sdf -rw-rw-r-- root/root 864 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/9rsa_adu.sdf -rw-rw-r-- root/root 2749 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/9rub_rub.sdf -rw-rw-r-- root/root 1833 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdb_ligands_sdf/rdkit_addh/9xim_xls.sdf -rw-rw-r-- root/root 3434 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/pdbreadfile.cpp -rw-rw-r-- root/root 7172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/periodictest.cpp -rw-rw-r-- root/root 10873 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/phmodel.cpp -rw-rw-r-- root/root 19026 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/regressionstest.cpp -rw-rw-r-- root/root 7895 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/residue.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/ -rw-rw-r-- root/root 910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/1_reactant_-_A.rxn -rw-rw-r-- root/root 472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/1_reactant_-_A.txt -rw-rw-r-- root/root 910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/1_reactant_-_R.rxn -rw-rw-r-- root/root 472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/1_reactant_-_R.txt -rw-rw-r-- root/root 910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/1_reactant_-_X.rxn -rw-rw-r-- root/root 472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/1_reactant_-_X.txt -rw-rw-r-- root/root 763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/1_reactant_-_no_product.rxn -rw-rw-r-- root/root 424 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/1_reactant_-_no_product.txt -rw-rw-r-- root/root 840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/1_reactant_-_no_structure.rxn -rw-rw-r-- root/root 480 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/1_reactant_-_no_structure.txt -rw-rw-r-- root/root 1072 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/Inverted_stereochemistry.rxn -rw-rw-r-- root/root 584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/Inverted_stereochemistry.txt -rw-rw-r-- root/root 763 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/No_reactant_-_1_product.rxn -rw-rw-r-- root/root 446 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/No_reactant_-_1_product.txt -rw-rw-r-- root/root 855 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/No_reactant_-_1_product_02.rxn -rw-rw-r-- root/root 471 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/No_reactant_-_1_product_02.txt -rw-rw-r-- root/root 336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/R-_-A.rxn -rw-rw-r-- root/root 252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/R-_-A.txt -rw-rw-r-- root/root 1719 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/RingOpening01.rxn -rw-rw-r-- root/root 820 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/RingOpening01.txt -rw-rw-r-- root/root 932 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/Styrene_-_Polystyrene_as_no-struct.rxn -rw-rw-r-- root/root 502 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/Styrene_-_Polystyrene_as_no-struct.txt -rw-rw-r-- root/root 2588 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/Tautomerization_01.rxn -rw-rw-r-- root/root 1047 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/Tautomerization_01.txt -rw-rw-r-- root/root 910 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/X_-_1_product.rxn -rw-rw-r-- root/root 484 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/X_-_1_product.txt -rw-rw-r-- root/root 840 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/no_structure_-_1_product.rxn -rw-rw-r-- root/root 481 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/no_structure_-_1_product.txt -rw-rw-r-- root/root 266 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/nostruct_-_X.rxn -rw-rw-r-- root/root 252 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/nostruct_-_X.txt -rw-rw-r-- root/root 413 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/star_star_-_nostruct.rxn -rw-rw-r-- root/root 280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rinchi/star_star_-_nostruct.txt -rw-rw-r-- root/root 7114 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/ringtest.cpp -rw-rw-r-- root/root 5614 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/rotortest.cpp -rw-rw-r-- root/root 7258 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/roundtrip.cpp -rw-rw-r-- root/root 17023 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/shuffletest.cpp -rw-rw-r-- root/root 2280 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/smartsparse.cpp -rw-rw-r-- root/root 7772 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/smartstest.cpp -rw-rw-r-- root/root 3201 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/smilesmatch.cpp -rw-rw-r-- root/root 14093 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/smilestest.cpp -rw-rw-r-- root/root 2383 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/smileytest.cpp -rw-rw-r-- root/root 24799 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/spectrophoretest.cpp -rw-rw-r-- root/root 6693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/squareplanartest.cpp -rw-rw-r-- root/root 15897 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/stereoperceptiontest.cpp -rw-rw-r-- root/root 16764 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/stereotest.cpp -rw-rw-r-- root/root 4386 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/strip.cpp -rw-rw-r-- root/root 11554 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/tautomertest.cpp -rwxrwxr-x root/root 488 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/test-set.sh -rw-rw-r-- root/root 3611 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testRInChI.py -rwxrwxr-x root/root 549 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/test_depiction.sh -rw-rw-r-- root/root 921 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/test_pybel.py -rw-rw-r-- root/root 18161 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testbabel.py -rw-rw-r-- root/root 46472 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testbindings.py -rw-rw-r-- root/root 4018 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testcdjsonformat.py -rw-rw-r-- root/root 3210 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testdistgeom.py -rw-rw-r-- root/root 1021 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testexample.py -rw-rw-r-- root/root 1914 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testfastsearch.py -rw-rw-r-- root/root 5887 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testkekule.py -rw-rw-r-- root/root 125685 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testobconv_writers.py -rw-rw-r-- root/root 10277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testpcjsonformat.py -rw-rw-r-- root/root 6906 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testpdbformat.py -rw-rw-r-- root/root 7351 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testroundtrip.py -rw-rw-r-- root/root 4195 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testsmartssym.py -rw-rw-r-- root/root 15053 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testsym.py -rw-rw-r-- root/root 1677 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/testunique.py -rw-rw-r-- root/root 7089 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/tetrahedraltest.cpp -rw-rw-r-- root/root 2872 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/tetranonplanartest.cpp -rw-rw-r-- root/root 3338 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/tetraplanartest.cpp -rw-rw-r-- root/root 4956 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/uniqueidtest.cpp -rw-rw-r-- root/root 10336 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/unitcell.cpp -rw-rw-r-- root/root 3226 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/zipstream.cpp drwxrwxr-x root/root 0 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/ -rw-rw-r-- root/root 4068 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/CMakeLists.txt -rw-rw-r-- root/root 1239 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/README -rw-rw-r-- root/root 40694 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/getopt.c -rw-rw-r-- root/root 6744 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/getopt.h -rw-rw-r-- root/root 24172 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obabel.cpp -rw-rw-r-- root/root 3473 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obconformer.cpp -rw-rw-r-- root/root 3522 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obdistgen.cpp -rw-rw-r-- root/root 4562 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obdoc.cpp -rw-rw-r-- root/root 5637 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obenergy.cpp -rw-rw-r-- root/root 12063 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obfit.cpp -rw-rw-r-- root/root 11584 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obfitall.cpp -rw-rw-r-- root/root 907 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obfragment-index.cpp -rw-rw-r-- root/root 6362 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obfragment.cpp -rw-rw-r-- root/root 4244 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obgen.cpp -rw-rw-r-- root/root 10787 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obgrep.cpp -rw-rw-r-- root/root 8817 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obminimize.cpp -rw-rw-r-- root/root 12987 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obmm.cpp -rw-rw-r-- root/root 4567 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obprobe.cpp -rw-rw-r-- root/root 8085 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obprop.cpp -rw-rw-r-- root/root 9896 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obrms.cpp -rw-rw-r-- root/root 3231 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obrotamer.cpp -rw-rw-r-- root/root 8900 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obrotate.cpp -rw-rw-r-- root/root 3125 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obseq.cpp -rw-rw-r-- root/root 4693 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obsort-fragment.cpp -rw-rw-r-- root/root 36802 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obspectrophore.cpp -rw-rw-r-- root/root 2312 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obsym.cpp -rw-rw-r-- root/root 2514 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obtautomer.cpp -rw-rw-r-- root/root 8277 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obthermo.cpp -rw-rw-r-- root/root 2679 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obtorsion.cpp -rw-rw-r-- root/root 5004 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obxyz.cpp -rw-rw-r-- root/root 1647 2020-11-02 21:18 openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/svgdepict.cpp + STATUS=0 + '[' 0 -ne 0 ']' + cd openbabel-9c001b5aeb8b985f26d111d811673150607662fa + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + echo 'Patch #1 (01.openbabel-perl.patch):' Patch #1 (01.openbabel-perl.patch): + /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .perl_path --fuzz=0 patching file scripts/CMakeLists.txt + echo 'Patch #2 (02.openbabel-ruby.patch):' Patch #2 (02.openbabel-ruby.patch): + /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .ruby_vendor-swig --fuzz=0 patching file scripts/CMakeLists.txt + RPM_EC=0 ++ jobs -p + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.LFUelu + umask 022 + cd /builddir/build/BUILD + cd openbabel-9c001b5aeb8b985f26d111d811673150607662fa + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + /usr/bin/cmake -S . -B aarch64-redhat-linux-gnu -DCMAKE_C_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_CXX_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_Fortran_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON -DCMAKE_INSTALL_PREFIX:PATH=/usr -DINCLUDE_INSTALL_DIR:PATH=/usr/include -DLIB_INSTALL_DIR:PATH=/usr/lib64 -DSYSCONF_INSTALL_DIR:PATH=/etc -DSHARE_INSTALL_PREFIX:PATH=/usr/share -DLIB_SUFFIX=64 -DBUILD_SHARED_LIBS:BOOL=ON -DCMAKE_INSTALL_PREFIX=/usr -DBUILD_GUI=ON -DOPENBABEL_USE_SYSTEM_INCHI=true -DRUN_SWIG=ON -DPYTHON_BINDINGS=ON -DPERL_BINDINGS=ON -DRUBY_BINDINGS=ON -R_BINDINGS=ON . -- The C compiler identification is GNU 10.2.1 -- The CXX compiler identification is GNU 10.2.1 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/gcc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done CMake Deprecation Warning at CMakeLists.txt:14 (cmake_policy): The OLD behavior for policy CMP0042 will be removed from a future version of CMake. The cmake-policies(7) manual explains that the OLD behaviors of all policies are deprecated and that a policy should be set to OLD only under specific short-term circumstances. Projects should be ported to the NEW behavior and not rely on setting a policy to OLD. CMake Warning (dev) at /usr/share/cmake/Modules/FindPackageHandleStandardArgs.cmake:273 (message): The package name passed to `find_package_handle_standard_args` (INCHI) does not match the name of the calling package (Inchi). This can lead to problems in calling code that expects `find_package` result variables (e.g., `_FOUND`) to follow a certain pattern. Call Stack (most recent call first): cmake/modules/FindInchi.cmake:19 (find_package_handle_standard_args) CMakeLists.txt:145 (find_package) This warning is for project developers. Use -Wno-dev to suppress it. -- Found INCHI: /usr/lib64/libinchi.so -- Found LibXml2: /usr/lib64/libxml2.so (found version "2.9.10") -- Found ZLIB: /usr/lib64/libz.so (found version "1.2.11") -- Found wxWidgets: -pthread;;;-lwx_baseu-3.0;-lwx_gtk3u_core-3.0;-lwx_gtk3u_adv-3.0 (found version "3.0.5") -- Looking for conio.h -- Looking for conio.h - not found -- Looking for sys/time.h -- Looking for sys/time.h - found -- Looking for time.h -- Looking for time.h - found -- Looking for strings.h -- Looking for strings.h - found -- Looking for rpc/xdr.h -- Looking for rpc/xdr.h - not found -- Looking for regex.h -- Looking for regex.h - found -- Looking for C++ include sstream -- Looking for C++ include sstream - found -- Looking for rint -- Looking for rint - not found -- Looking for snprintf -- Looking for snprintf - found -- Looking for sranddev -- Looking for sranddev - not found -- Looking for strcasecmp -- Looking for strcasecmp - found -- Looking for strncasecmp -- Looking for strncasecmp - found -- Looking for dlopen in dl -- Looking for dlopen in dl - found -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for stdint.h -- Looking for stdint.h - found -- Looking for stddef.h -- Looking for stddef.h - found -- Check size of clock_t -- Check size of clock_t - done -- Performing Test SCANDIR_NEEDS_CONST -- Performing Test SCANDIR_NEEDS_CONST - Failed -- Performing Test HAVE_GCC_VISIBILITY -- Performing Test HAVE_GCC_VISIBILITY - Success -- Checking available shared pointer... -- Performing Test HAVE_STD_SHARED_PTR -- Performing Test HAVE_STD_SHARED_PTR - Success -- Performing Test HAVE_STD_TR1_SHARED_PTR -- Performing Test HAVE_STD_TR1_SHARED_PTR - Failed -- Performing Test HAVE_STD_TR1_SHARED_PTR_IN_TR1_HEADER -- Performing Test HAVE_STD_TR1_SHARED_PTR_IN_TR1_HEADER - Success -- Use std::shared_ptr in memory -- Could NOT find Boost (missing: Boost_INCLUDE_DIR program_options iostreams) -- Found Eigen3: /usr/include/eigen3 (Required is at least version "2.91.0") -- Could NOT find Boost (missing: Boost_INCLUDE_DIR filesystem iostreams unit_test_framework) -- Maestro formats will NOT be supported. Please install Boost to enable Maestro formats. -- Coordinate generation with Coordgen will NOT be supported. Please install Boost to enable Maestro formats. -- Found PkgConfig: /usr/bin/pkg-config (found version "1.7.3") -- Found RapidJSON: /usr/include (found suitable version "1.1.0", minimum required is "1.1.0") -- JSON formats will be supported. Using RapidJSON 1.1.0 at /usr/include -- Checking for module 'cairo' -- Found cairo, version 1.16.0 -- Found Cairo: /usr/lib64/libcairo.so -- Cairo found. PNG output will be supported. -- Could NOT find Boost (missing: Boost_INCLUDE_DIR system) (Required is at least version "1.45.0") -- Looking for pthread.h -- Looking for pthread.h - found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed -- Check if compiler accepts -pthread -- Check if compiler accepts -pthread - yes -- Found Threads: TRUE -- Could NOT find Boost (missing: Boost_INCLUDE_DIR program_options iostreams) -- Looking for getopt -- Looking for getopt - found -- Attempting to build the GUI -- wxWidgets found => GUI will be built -- Found PythonInterp: /usr/bin/python3.9 (found version "3.9") -- Found SWIG: /usr/bin/swig (found version "4.0.2") -- Found SWIG: /usr/bin/swig (found suitable version "4.0.2", minimum required is "2.0") -- Found PythonLibs: /usr/lib64/libpython3.9.so (found version "3.9.0") -- Python bindings will be compiled -- Found Perl: /usr/bin/perl (found version "5.32.0") -- Found PerlLibs: /usr/lib64/libperl.so (found version "5.32.0") -- Perl bindings will be compiled -- Found Ruby: /usr/bin/ruby (found suitable version "2.7.2", minimum required is "1.8.0") -- Ruby bindings will be compiled -- Configuring done -- Generating done CMake Warning: Manually-specified variables were not used by the project: CMAKE_C_FLAGS_RELEASE CMAKE_Fortran_FLAGS_RELEASE INCLUDE_INSTALL_DIR SHARE_INSTALL_PREFIX SYSCONF_INSTALL_DIR -- Build files have been written to: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu + /usr/bin/cmake --build aarch64-redhat-linux-gnu -j4 --verbose /usr/bin/cmake -S/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa -B/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/CMakeFiles /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu//CMakeFiles/progress.marks /usr/bin/gmake -f CMakeFiles/Makefile2 all gmake[1]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/openbabel.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/openbabel.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/openbabel.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/openbabel.dir/depend.internal". Scanning dependencies of target openbabel gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 0%] Building CXX object src/CMakeFiles/openbabel.dir/alias.cpp.o [ 0%] Building CXX object src/CMakeFiles/openbabel.dir/atom.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/atom.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/atom.cpp [ 0%] Building CXX object src/CMakeFiles/openbabel.dir/bitvec.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/alias.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/alias.cpp cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/bitvec.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/bitvec.cpp [ 0%] Building CXX object src/CMakeFiles/openbabel.dir/base.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/base.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/base.cpp [ 1%] Building CXX object src/CMakeFiles/openbabel.dir/bond.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/bond.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/bond.cpp [ 1%] Building CXX object src/CMakeFiles/openbabel.dir/bondtyper.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/bondtyper.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/bondtyper.cpp [ 1%] Building CXX object src/CMakeFiles/openbabel.dir/builder.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/builder.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/builder.cpp [ 1%] Building CXX object src/CMakeFiles/openbabel.dir/canon.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/canon.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/canon.cpp [ 1%] Building CXX object src/CMakeFiles/openbabel.dir/chains.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/chains.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/chains.cpp [ 2%] Building CXX object src/CMakeFiles/openbabel.dir/chargemodel.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/chargemodel.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/chargemodel.cpp [ 2%] Building CXX object src/CMakeFiles/openbabel.dir/data.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/data.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/data.cpp [ 2%] Building CXX object src/CMakeFiles/openbabel.dir/data_utilities.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/data_utilities.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/data_utilities.cpp [ 2%] Building CXX object src/CMakeFiles/openbabel.dir/descriptor.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/descriptor.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptor.cpp [ 2%] Building CXX object src/CMakeFiles/openbabel.dir/elements.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/elements.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/elements.cpp [ 3%] Building CXX object src/CMakeFiles/openbabel.dir/fingerprint.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/fingerprint.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/fingerprint.cpp [ 3%] Building CXX object src/CMakeFiles/openbabel.dir/forcefield.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/forcefield.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp [ 3%] Building CXX object src/CMakeFiles/openbabel.dir/format.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/format.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/format.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In static member function 'static bool OpenBabel::OBForceField::IgnoreCalculation(int, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:391:21: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 391 | if (_ignoreAtom == a) | ~~~~~~~~~~~~^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:393:21: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 393 | if (_ignoreAtom == b) | ~~~~~~~~~~~~^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In static member function 'static bool OpenBabel::OBForceField::IgnoreCalculation(int, int, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:403:21: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 403 | if (_ignoreAtom == b) | ~~~~~~~~~~~~^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In static member function 'static bool OpenBabel::OBForceField::IgnoreCalculation(int, int, int, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:413:21: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 413 | if (_ignoreAtom == d) | ~~~~~~~~~~~~^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'int OpenBabel::OBFFConstraints::GetConstraintType(int) const': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:665:15: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 665 | if (index >= _constraints.size()) | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'double OpenBabel::OBFFConstraints::GetConstraintValue(int) const': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:673:15: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 673 | if (index >= _constraints.size()) | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'int OpenBabel::OBFFConstraints::GetConstraintAtomA(int) const': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:681:15: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 681 | if (index >= _constraints.size()) | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'int OpenBabel::OBFFConstraints::GetConstraintAtomB(int) const': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:689:15: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 689 | if (index >= _constraints.size()) | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'int OpenBabel::OBFFConstraints::GetConstraintAtomC(int) const': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:697:15: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 697 | if (index >= _constraints.size()) | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'int OpenBabel::OBFFConstraints::GetConstraintAtomD(int) const': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:705:15: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 705 | if (index >= _constraints.size()) | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'int OpenBabel::OBForceField::FastRotorSearch(bool)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:1353:34: warning: array subscript has type 'char' [-Wchar-subscripts] 1353 | num_permutations = factorial[num_rotors_to_permute]; | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:1357:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 1357 | for (int i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 1370 | for (int i=0; i >&, std::vector, double)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:1571:15: warning: comparison of integer expressions of different signedness: 'unsigned int' and '__gnu_cxx::__alloc_traits, int>::value_type' {aka 'int'} [-Wsign-compare] 1571 | if (j == rotorKey[i]) /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:1590:15: warning: comparison of integer expressions of different signedness: 'unsigned int' and '__gnu_cxx::__alloc_traits, int>::value_type' {aka 'int'} [-Wsign-compare] 1590 | if (j == rotorKey[i]) [ 3%] Building CXX object src/CMakeFiles/openbabel.dir/generic.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/generic.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/generic.cpp [ 3%] Building CXX object src/CMakeFiles/openbabel.dir/graphsym.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/graphsym.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/graphsym.cpp [ 4%] Building CXX object src/CMakeFiles/openbabel.dir/grid.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/grid.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/grid.cpp [ 4%] Building CXX object src/CMakeFiles/openbabel.dir/griddata.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/griddata.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/griddata.cpp [ 4%] Building CXX object src/CMakeFiles/openbabel.dir/isomorphism.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/isomorphism.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/isomorphism.cpp [ 4%] Building CXX object src/CMakeFiles/openbabel.dir/kekulize.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/kekulize.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/kekulize.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/kekulize.cpp: In function 'bool OpenBabel::NeedsDoubleBond(OpenBabel::OBAtom*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/kekulize.cpp:94:15: warning: unused variable 'nbr' [-Wunused-variable] 94 | OBAtom *nbr = bond->GetNbrAtom(atom); | ^~~ [ 4%] Building CXX object src/CMakeFiles/openbabel.dir/locale.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/locale.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/locale.cpp [ 5%] Building CXX object src/CMakeFiles/openbabel.dir/matrix.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/matrix.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/matrix.cpp [ 5%] Building CXX object src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/mcdlutil.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:423:5: warning: multi-line comment [-Wcomment] 423 | // / \ | ^ In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:24: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'OpenBabel::OBFFConstraints::AddAtomYConstraint(int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/forcefield.h:233:16: warning: 'MEM [(double *)&constraint + 16B]' may be used uninitialized in this function [-Wmaybe-uninitialized] 233 | class OBFPRT OBFFConstraint | ^~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/forcefield.h:233:16: warning: 'MEM [(double *)&constraint + 16B]' may be used uninitialized in this function [-Wmaybe-uninitialized] 233 | class OBFPRT OBFFConstraint | ^~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/forcefield.h:233:16: warning: 'MEM [(double *)&constraint + 16B]' may be used uninitialized in this function [-Wmaybe-uninitialized] 233 | class OBFPRT OBFFConstraint | ^~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/forcefield.h:233:16: warning: 'MEM [(double *)&constraint + 16B]' may be used uninitialized in this function [-Wmaybe-uninitialized] 233 | class OBFPRT OBFFConstraint | ^~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'OpenBabel::OBFFConstraints::AddIgnore(int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/forcefield.h:233:16: warning: 'MEM [(double *)&constraint + 16B]' may be used uninitialized in this function [-Wmaybe-uninitialized] 233 | class OBFPRT OBFFConstraint | ^~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'OpenBabel::OBFFConstraints::AddAtomZConstraint(int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/forcefield.h:233:16: warning: 'MEM [(double *)&constraint + 16B]' may be used uninitialized in this function [-Wmaybe-uninitialized] 233 | class OBFPRT OBFFConstraint | ^~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'OpenBabel::OBFFConstraints::AddAtomXConstraint(int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/forcefield.h:233:16: warning: 'MEM [(double *)&constraint + 16B]' may be used uninitialized in this function [-Wmaybe-uninitialized] 233 | class OBFPRT OBFFConstraint | ^~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'OpenBabel::OBFFConstraints::AddAtomConstraint(int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/forcefield.h:233:16: warning: 'MEM [(double *)&constraint + 16B]' may be used uninitialized in this function [-Wmaybe-uninitialized] 233 | class OBFPRT OBFFConstraint | ^~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp: In member function 'OpenBabel::OBForceField::FastRotorSearch(bool)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:1410:11: warning: 'minE' may be used uninitialized in this function [-Wmaybe-uninitialized] 1410 | if (minE < best_minE) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefield.cpp:1393:29: warning: 'minj' may be used uninitialized in this function [-Wmaybe-uninitialized] 1393 | rotorKey[idx + 1] = minj; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In member function 'bool OpenBabel::TSimpleMolecule::threeBondResolve(int, int, double&, double&, OpenBabel::neighbourlist*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:968:16: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 968 | for (i=0; i&, int, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:1471:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 1471 | for (j=0; j::size_type' {aka 'long unsigned int'} [-Wsign-compare] 1478 | } while (k&, std::vector&, std::vector >&, std::vector&, std::vector&, std::vector&, std::vector&, std::vector&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:2009:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 2009 | for (j=0; j0) atDef=atDef+1; | ~^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:2019:30: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 2019 | if (cN>=0) if (maxAtDef==atomCycle[cN].size()) { | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:2034:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 2034 | for (j=1; j::size_type' {aka 'long unsigned int'} [-Wsign-compare] 2040 | for (j=0;currNumDef < atomClean && j&, std::vector, std::vector&, std::vector >&, std::vector&, std::vector&, std::vector&, std::vector&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:2107:98: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 2107 | if (baseCycle>0) for (i=0; i, std::vector, int, int&, int, int, int, bool)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:2238:67: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 2238 | for (j=0; j::size_type' {aka 'long unsigned int'} [-Wsign-compare] 2240 | for (k=0; k::size_type' {aka 'long unsigned int'} [-Wsign-compare] 2264 | for (j=1; j::size_type' {aka 'long unsigned int'} [-Wsign-compare] 2575 | if ((nb + i) > dsATN.size()) nb=dsATN.size()-i; // Check added to avoid segfault below, see issue #1851 | ~~~~~~~~~^~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In member function 'void OpenBabel::TSimpleMolecule::flipSmall(int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:2985:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 2985 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3024 | for (i=0; i, long unsigned int>::value_type' {aka 'long unsigned int'} [-Wsign-compare] 3103 | if (bond->at[0]==dblbond->bstereo_refs[ref_atom1] || bond->at[1]==dblbond->bstereo_refs[ref_atom1]) /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:3103:75: warning: comparison of integer expressions of different signedness: 'short int' and '__gnu_cxx::__alloc_traits, long unsigned int>::value_type' {aka 'long unsigned int'} [-Wsign-compare] 3103 | if (bond->at[0]==dblbond->bstereo_refs[ref_atom1] || bond->at[1]==dblbond->bstereo_refs[ref_atom1]) /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:3105:26: warning: comparison of integer expressions of different signedness: 'short int' and '__gnu_cxx::__alloc_traits, long unsigned int>::value_type' {aka 'long unsigned int'} [-Wsign-compare] 3105 | if (bond->at[0]==dblbond->bstereo_refs[ref_atom2] || bond->at[1]==dblbond->bstereo_refs[ref_atom2]) /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:3105:75: warning: comparison of integer expressions of different signedness: 'short int' and '__gnu_cxx::__alloc_traits, long unsigned int>::value_type' {aka 'long unsigned int'} [-Wsign-compare] 3105 | if (bond->at[0]==dblbond->bstereo_refs[ref_atom2] || bond->at[1]==dblbond->bstereo_refs[ref_atom2]) /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In function 'bool OpenBabel::compareAtoms(int, int, std::vector*>)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:3127:37: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector*>::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3127 | if ((a1 < 0) || (a2 < 0) || (a1 >= aeqList.size()) || (a2 >= aeqList.size())) return result; | ~~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:3127:63: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector*>::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3127 | if ((a1 < 0) || (a2 < 0) || (a1 >= aeqList.size()) || (a2 >= aeqList.size())) return result; | ~~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In member function 'void OpenBabel::TSimpleMolecule::makeEquivalentList(std::vector&, bool)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:3291:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3291 | for (j=0; jsize(); j++) (*lL)[i]=0; | ~^~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:3299:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3299 | for (i=0; i*>::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3309 | for (int i=0; i&, std::vector)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:3325:13: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'const value_type' {aka 'const int'} [-Wsign-compare] 3325 | if (l <= maxValues[i]) { /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In member function 'int OpenBabel::TSimpleMolecule::correctOverlapped()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:3374:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3374 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3427 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3437 | for (i=0; i*, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:3540:44: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 3540 | for (i=0; isize(); i++) if (i != index) { | ~~^~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In member function 'void OpenBabel::TEditedMolecule::addAsTemplate(OpenBabel::TEditedMolecule&, int, int, int, int, bool)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4216:19: warning: variable 'nBondsOld' set but not used [-Wunused-but-set-variable] 4216 | int nAtomsOld,nBondsOld,naDef1,naDef,i; | ^~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4217:10: warning: variable 'test' set but not used [-Wunused-but-set-variable] 4217 | bool test,test1,test2; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4217:15: warning: variable 'test1' set but not used [-Wunused-but-set-variable] 4217 | bool test,test1,test2; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4217:21: warning: variable 'test2' set but not used [-Wunused-but-set-variable] 4217 | bool test,test1,test2; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4219:40: warning: variable 'xCenter' set but not used [-Wunused-but-set-variable] 4219 | double r,scale,xOld,yOld,xNew,yNew,xCenter,yCenter; | ^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4219:48: warning: variable 'yCenter' set but not used [-Wunused-but-set-variable] 4219 | double r,scale,xOld,yOld,xNew,yNew,xCenter,yCenter; | ^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In member function 'OpenBabel::TEditedMolecule* OpenBabel::TEditedMolecule::extractFragment(int, std::vector*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4410:35: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4410 | if (list.size()>1) for (i=0; i<(list.size()-1); i++) for (j=i+1; jlist[j]) { | ~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4410:71: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4410 | if (list.size()>1) for (i=0; i<(list.size()-1); i++) for (j=i+1; jlist[j]) { | ~^~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4415:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4415 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4418 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4591 | for (j=0; j::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4596 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4601 | for (i=0; i*, std::vector*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4636:31: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 4636 | if (qEnumerator->size() != nAtoms()) qEnumerator->resize(nAtoms()); | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4637:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4637 | for (i=0; isize(); i++) (*qEnumerator)[i]=i; | ~^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4666:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4666 | for (j=0; jsize(); j++) { | ~^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In member function 'bool OpenBabel::TEditedMolecule::fragmentSearch(OpenBabel::TEditedMolecule*, std::vector*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4853:32: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4853 | if (molecule1->listarSize()>aSTested.size()) aSTested.resize(molecule1->listarSize()); | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4854:32: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4854 | if (molecule1->listarSize()>bSTested.size()) bSTested.resize(molecule1->listarSize()); | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4855:32: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4855 | if (molecule1->listarSize()>queryQHydr.size()) queryQHydr.resize(molecule1->listarSize()); | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4856:32: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4856 | if (molecule1->listarSize()>queryAQTested.size()) queryAQTested.resize(molecule1->listarSize()); | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4857:32: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4857 | if (molecule1->listarSize()>queryBQTested.size()) queryBQTested.resize(molecule1->listarSize()); | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4858:32: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4858 | if (molecule1->listarSize()>queryCurrentAssignment.size()) queryCurrentAssignment.resize(molecule1->listarSize()); | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4859:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 4859 | if (this->listarSize()>queryAQTested.size()) queryAQTested.resize(this->listarSize()); | ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:5036:10: warning: suggest explicit braces to avoid ambiguous 'else' [-Wdangling-else] 5036 | if (test2) for (j=0; jnBonds(); j++) if (bSTested[j]>=0) (*bondLabel)[j]=1; else (*bondLabel)[j]=0; | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4840:9: warning: variable 'cycleNumber' set but not used [-Wunused-but-set-variable] 4840 | int cycleNumber; | ^~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In member function 'bool OpenBabel::TemplateRedraw::internalBondsPresent(OpenBabel::TEditedMolecule*, OpenBabel::TSimpleMolecule*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:5205:16: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 5205 | for (i=0; inAtoms(); i++) aList[mQuery->queryAQTested[i]]=1; | ~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:5206:16: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 5206 | for (i=0; inBonds(); i++) bList[mQuery->queryBQTested[i]]=1; | ~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In member function 'void OpenBabel::TemplateRedraw::rotateBondVertically(OpenBabel::TSimpleMolecule*, std::vector, int, double, double, double&, double&, double&, double&, double&, double&, int&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:5236:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5236 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5281 | for (i=0; i*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:5315:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5315 | for (i=0; isize(); i++) { | ~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:5332:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5332 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5362 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5372 | for (i=0; i*, OpenBabel::PartFragmentDefinition&, double)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:5403:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5403 | for (i=0; isize(); i++) { | ~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:5416:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5416 | for (i=0; isize(); i++) { | ~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:5432:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5432 | for (i=0; isize(); i++) { | ~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In member function 'int OpenBabel::TemplateRedraw::coordinatesPrepare(OpenBabel::TEditedMolecule&, int, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:5671:17: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5671 | for (i=kk; ifragmentSearch(&sm,nullptr)) { | ~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:5719:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5719 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5722 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5730 | for (j=0; j::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5802 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5832 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5898 | for (j=0; j::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5910 | for (frCount=0; frCount::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5926 | for (frCount=0; frCount::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5949 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 5964 | for (frCount=0; frCount::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6004 | for (i=0;i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6011 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6030 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6038 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6039 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6040 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6363 | if (result >= instring.length()) result=-1; | ~~~~~~~^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In function 'std::string OpenBabel::getAtomMCDL(OpenBabel::OBMol*, int, std::vector, std::vector, std::vector, std::vector)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:6550:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6550 | for (j=0; j::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6595 | if (anumStereo.size() > 1) for (i=0; i<(anumStereo.size()-1); i++) if (anumStereo[i] >= 0) { | ~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:6597:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6597 | for (j=i+1; j= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) n++; | ~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:6603:26: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6603 | for (j=i+1; j= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) { | ~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:6613:28: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6613 | for (j=i+1; j= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) anumStereo[j]=-1; | ~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:6616:28: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6616 | for (j=i+1; j= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) anumStereo[j]=-2; | ~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:6627:30: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6627 | if (k == 1) for (i=0; i >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6636 | if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6636 | if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6646 | for (i=0; i < v.size(); i++) { | ~~^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In function 'std::string OpenBabel::getBondMCDL(OpenBabel::OBMol*, int, int, std::vector, std::vector, int (*)[4], std::vector, std::vector)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:6847:43: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6847 | if (anumStereo.size() > 1) for (i=0; i<(anumStereo.size()-1); i++) if (anumStereo[i] >= 0) { | ~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:6849:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6849 | for (j=i+1; j::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6854 | for (j=i+1; j::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6868 | for (j=i+1; j::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6876 | for (j=i+1; j >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6881 | if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6881 | if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6891 | for (i=0; i < v.size(); i++) { | ~~^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:6684:26: warning: variable 'n4' set but not used [-Wunused-but-set-variable] 6684 | int i,j,n,m,n1,n2,n3,n4,an1,an2,an3,an4,k; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In function 'void OpenBabel::implementAtomStereo(std::vector&, std::vector&, std::vector&, std::vector, std::vector, int, int, std::string)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:6964:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string::size_type' {aka 'long unsigned int'} [-Wsign-compare] 6964 | if (n1 < (astereo.length()-1)) astereo=astereo.substr(n1+1); else astereo=""; | ~~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In function 'void OpenBabel::implementBondStereo(std::vector, std::vector, std::vector&, std::vector&, int, int, std::string)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:7028:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string::size_type' {aka 'long unsigned int'} [-Wsign-compare] 7028 | if (n1 < (bstereo.length()-1)) bstereo=bstereo.substr(n1+1); else bstereo=""; | ~~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In function 'int OpenBabel::groupRedraw(OpenBabel::OBMol*, int, int, bool)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:7163:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 7163 | for (i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 7171 | for (int i=0; i&, int&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:7213:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string::size_type' {aka 'long unsigned int'} [-Wsign-compare] 7213 | if (n='0') && (value.at(n)<='9')) { | ~^~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:7216:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string::size_type' {aka 'long unsigned int'} [-Wsign-compare] 7216 | while ((n2<(value.length()-1)) && (value.at(n2)>='0') && (value.at(n2)<='9')) n2++; | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:7237:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string::size_type' {aka 'long unsigned int'} [-Wsign-compare] 7237 | if (n='0') && (value.at(n)<='9')) { | ~^~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:7240:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string::size_type' {aka 'long unsigned int'} [-Wsign-compare] 7240 | while ((n2<(value.length()-1)) && (value.at(n2)>='0') && (value.at(n2)<='9')) n2++; | ~~^~~~~~~~~~~~~~~~~~~ [ 5%] Building CXX object src/CMakeFiles/openbabel.dir/molchrg.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/molchrg.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/molchrg.cpp [ 5%] Building CXX object src/CMakeFiles/openbabel.dir/mol.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/mol.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mol.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mol.cpp: In member function 'unsigned int OpenBabel::OBMol::NumHvyAtoms()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mol.cpp:809:30: warning: unnecessary parentheses in declaration of 'i' [-Wparentheses] 809 | vector::iterator(i); | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mol.cpp: In member function 'unsigned int OpenBabel::OBMol::GetTotalSpinMultiplicity()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mol.cpp:1221:21: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 1221 | if (chg % 2 != unpaired_electrons %2) | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~ [ 5%] Building CXX object src/CMakeFiles/openbabel.dir/obconversion.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/obconversion.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/obconversion.cpp [ 6%] Building CXX object src/CMakeFiles/openbabel.dir/oberror.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/oberror.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/oberror.cpp [ 6%] Building CXX object src/CMakeFiles/openbabel.dir/obfunctions.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/obfunctions.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/obfunctions.cpp [ 6%] Building CXX object src/CMakeFiles/openbabel.dir/obiter.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/obiter.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/obiter.cpp In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/obiter.cpp:27: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obiter.h: In constructor 'OpenBabel::OBMolRingIter::OBMolRingIter(OpenBabel::OBMol*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obiter.h:375:12: warning: 'OpenBabel::OBMolRingIter::_parent' will be initialized after [-Wreorder] 375 | OBMol *_parent; | ^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obiter.h:374:13: warning: 'OpenBabel::OBRing* OpenBabel::OBMolRingIter::_ptr' [-Wreorder] 374 | OBRing *_ptr; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/obiter.cpp:1022:3: warning: when initialized here [-Wreorder] 1022 | OBMolRingIter::OBMolRingIter(OBMol *mol): _parent(mol), _ptr(nullptr) | ^~~~~~~~~~~~~ In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/obiter.cpp:27: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obiter.h: In constructor 'OpenBabel::OBMolRingIter::OBMolRingIter(OpenBabel::OBMol&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obiter.h:375:12: warning: 'OpenBabel::OBMolRingIter::_parent' will be initialized after [-Wreorder] 375 | OBMol *_parent; | ^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obiter.h:374:13: warning: 'OpenBabel::OBRing* OpenBabel::OBMolRingIter::_ptr' [-Wreorder] 374 | OBRing *_ptr; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/obiter.cpp:1032:3: warning: when initialized here [-Wreorder] 1032 | OBMolRingIter::OBMolRingIter(OBMol &mol): _parent(&mol), _ptr(nullptr) | ^~~~~~~~~~~~~ [ 6%] Building CXX object src/CMakeFiles/openbabel.dir/obutil.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/obutil.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/obutil.cpp In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/bond.h:32, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mol.cpp:23: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mol.cpp: In member function 'OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector >*, std::vector >*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/atom.h:189:63: warning: 'atomE' may be used uninitialized in this function [-Wmaybe-uninitialized] 189 | unsigned int GetIdx() const { return((int)_idx); } | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mol.cpp:4279:29: note: 'atomE' was declared here 4279 | OBAtom *atomB, *atomE; | ^~~~~ In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/bond.h:32, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mol.cpp:23: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/atom.h:189:63: warning: 'atomB' may be used uninitialized in this function [-Wmaybe-uninitialized] 189 | unsigned int GetIdx() const { return((int)_idx); } | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mol.cpp:4279:21: note: 'atomB' was declared here 4279 | OBAtom *atomB, *atomE; | ^~~~~ [ 6%] Building CXX object src/CMakeFiles/openbabel.dir/op.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/op.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/op.cpp [ 7%] Building CXX object src/CMakeFiles/openbabel.dir/parsmart.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/parsmart.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/parsmart.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp: In member function 'OpenBabel::TEditedMolecule::addAsTemplate(OpenBabel::TEditedMolecule&, int, int, int, int, bool)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/mcdlutil.cpp:4333:16: warning: 'r1' may be used uninitialized in this function [-Wmaybe-uninitialized] 4333 | xNew=r1*scale*xu1+this->getAtom(thisAN)->rx; | ~~^~~~~~ [ 7%] Building CXX object src/CMakeFiles/openbabel.dir/patty.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/patty.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/patty.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/parsmart.cpp: In function 'int OpenBabel::CreateAtom(OpenBabel::Pattern*, OpenBabel::AtomExpr*, int, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/parsmart.cpp:446:15: warning: variable 'size' set but not used [-Wunused-but-set-variable] 446 | int index,size; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/parsmart.cpp: In function 'int OpenBabel::CreateBond(OpenBabel::Pattern*, OpenBabel::BondExpr*, int, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/parsmart.cpp:478:15: warning: variable 'size' set but not used [-Wunused-but-set-variable] 478 | int index,size; | ^~~~ [ 7%] Building CXX object src/CMakeFiles/openbabel.dir/phmodel.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/phmodel.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/phmodel.cpp [ 7%] Building CXX object src/CMakeFiles/openbabel.dir/plugin.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/plugin.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/plugin.cpp [ 7%] Building CXX object src/CMakeFiles/openbabel.dir/pointgroup.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/pointgroup.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp: In member function 'int OpenBabel::PointGroupPrivate::establish_pairs(OpenBabel::PointGroupPrivate::SYMMETRY_ELEMENT*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp:267:32: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 267 | if( elem->transform[i] >= _mol->NumAtoms() ){ /* No symmetric atom yet */ | ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp: In member function 'int OpenBabel::PointGroupPrivate::check_transform_order(OpenBabel::PointGroupPrivate::SYMMETRY_ELEMENT*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp:311:32: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 311 | if( elem->transform[i] == i ) /* Identity transform is Ok for any order */ | ~~~~~~~~~~~~~~~~~~~^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp:315:34: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 315 | if( elem->transform[j] == i ) | ~~~~~~~~~~~~~~~~~~~^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp: In member function 'int OpenBabel::PointGroupPrivate::same_transform(OpenBabel::PointGroupPrivate::SYMMETRY_ELEMENT*, OpenBabel::PointGroupPrivate::SYMMETRY_ELEMENT*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp:358:31: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 358 | if( b->transform[j] != i ) | ~~~~~~~~~~~~~~~~^~~~ [ 8%] Building CXX object src/CMakeFiles/openbabel.dir/query.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/query.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/query.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp: In member function 'OpenBabel::OBPointGroup::Symbol OpenBabel::OBPointGroup::IdentifyPointGroupSymbol(double)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp:1958:37: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 1958 | || d->NormalAxesCounts[2] >= maxAxis) { // Are there the perpendicular C2 axes? | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp:1961:28: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 1961 | if (d->PlanesCount >= maxAxis + 1) { // Likely Dnh | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp:1986:33: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 1986 | else if (d->PlanesCount == maxAxis) { // Likely Dnd | ~~~~~~~~~~~~~~~^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp:2088:29: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 2088 | else if (d->PlanesCount >= maxAxis) { // Cnv | ~~~~~~~~~~~~~~~^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp: In member function 'void OpenBabel::OBPointGroup::Symmetrize(OpenBabel::OBMol*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp:2175:32: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 2175 | for (unsigned int i = 0; i < d->PlanesCount; i++) | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp:2182:32: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 2182 | for (unsigned int i = 0; i < d->NormalAxesCount; i++) | ~~^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/pointgroup.cpp:2189:32: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 2189 | for (unsigned int i = 0; i < d->ImproperAxesCount; i++) | ~~^~~~~~~~~~~~~~~~~~~~~~ [ 8%] Building CXX object src/CMakeFiles/openbabel.dir/rand.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/rand.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/rand.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/rand.cpp:428:15: warning: 'void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)' defined but not used [-Wunused-function] 428 | static void GenerateSequence( unsigned int p, unsigned int m, | ^~~~~~~~~~~~~~~~ [ 8%] Building CXX object src/CMakeFiles/openbabel.dir/reactionfacade.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/reactionfacade.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/reactionfacade.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/reactionfacade.cpp: In member function 'void OpenBabel::OBReactionFacadePrivate::FindComponents()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/reactionfacade.cpp:122:15: warning: unused variable 'atm' [-Wunused-variable] 122 | OBAtom* atm = &*atom; | ^~~ [ 8%] Building CXX object src/CMakeFiles/openbabel.dir/residue.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/residue.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/residue.cpp [ 8%] Building CXX object src/CMakeFiles/openbabel.dir/ring.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/ring.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ring.cpp [ 9%] Building CXX object src/CMakeFiles/openbabel.dir/rotamer.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/rotamer.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/rotamer.cpp [ 9%] Building CXX object src/CMakeFiles/openbabel.dir/rotor.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/rotor.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/rotor.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/rotamer.cpp: In member function 'void OpenBabel::OBRotamerList::AddRotamer(std::vector)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/rotamer.cpp:410:11: warning: this 'while' clause does not guard... [-Wmisleading-indentation] 410 | while (angle < 0.0) | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/rotamer.cpp:412:10: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while' 412 | while (angle > 360.0) | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/rotamer.cpp: In member function 'bool OpenBabel::OBRotamerList::SetCurrentCoordinates(OpenBabel::OBMol&, std::vector)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/rotamer.cpp:543:11: warning: this 'while' clause does not guard... [-Wmisleading-indentation] 543 | while (angle < 0.0) | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/rotamer.cpp:545:10: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while' 545 | while (angle > 360.0) | ^~~~~ [ 9%] Building CXX object src/CMakeFiles/openbabel.dir/spectrophore.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/spectrophore.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/spectrophore.cpp [ 9%] Building CXX object src/CMakeFiles/openbabel.dir/tautomer.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/tautomer.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/tautomer.cpp [ 9%] Building CXX object src/CMakeFiles/openbabel.dir/tokenst.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/tokenst.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/tokenst.cpp [ 10%] Building CXX object src/CMakeFiles/openbabel.dir/transform.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/transform.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/transform.cpp [ 10%] Building CXX object src/CMakeFiles/openbabel.dir/typer.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/typer.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/typer.cpp [ 10%] Building CXX object src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/obmolecformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/obmolecformat.cpp [ 10%] Building CXX object src/CMakeFiles/openbabel.dir/conformersearch.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/conformersearch.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp [ 10%] Building CXX object src/CMakeFiles/openbabel.dir/confsearch.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/confsearch.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/confsearch.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp: In member function 'virtual double OpenBabel::OBMinimizingRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const RotorKeys&, const std::vector&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:250:12: warning: unused variable 'score' [-Wunused-variable] 250 | double score = ff->Energy(false); // no gradients | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp: In member function 'bool OpenBabel::OBConformerSearch::Setup(const OpenBabel::OBMol&, int, int, int, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:351:23: warning: variable 'end_it' set but not used [-Wunused-but-set-variable] 351 | OBRotorIterator end_it = m_rotorList.EndRotors(); | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp: In member function 'int OpenBabel::OBConformerSearch::local_opt()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:789:19: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 789 | for (i = 1; i <= m_rotorList.Size(); ++i, rotor = m_rotorList.NextRotor(ri)) | ~~^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp: In member function 'int OpenBabel::OBConformerSearch::reproduce(OpenBabel::RotorKey&, OpenBabel::RotorKey&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:850:16: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 850 | if (iniche > -1) | ~~~~~~~^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp: In member function 'int OpenBabel::OBConformerSearch::share_fitness()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:1005:37: warning: comparison of integer expressions of different signedness: 'std::vector >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 1005 | if ((dynamic_niches.size () < nb_niches) && (dynamic_niches.size () %2)) | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:1020:30: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 1020 | if (dist < min_dist ) | ~~~~~^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:1033:18: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 1033 | if (imax == -1) | ~~~~~^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:1050:40: warning: comparison of integer expressions of different signedness: 'std::vector >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 1050 | if (dynamic_niches.size () < nb_niches) | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:976:10: warning: unused variable 'flag_niched' [-Wunused-variable] 976 | bool flag_niched = false; | ^~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp: In member function 'double OpenBabel::OBConformerSearch::sharing_generation()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:1139:20: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 1139 | while (ninsert < ((half_pop * 2) / 3)) | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:1148:24: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 1148 | if (iround < imax) | ~~~~~~~^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:1156:33: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 1156 | if (ninsert >= half_pop) | ~~~~~~~~^~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:1181:20: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 1181 | while (ninsert < half_pop) | ~~~~~~~~^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:1105:23: warning: unused variable 'lowest' [-Wunused-variable] 1105 | double sum = 0.0, lowest = 0.0, highest = 0.0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:1105:37: warning: unused variable 'highest' [-Wunused-variable] 1105 | double sum = 0.0, lowest = 0.0, highest = 0.0; | ^~~~~~~ [ 11%] Building CXX object src/CMakeFiles/openbabel.dir/distgeom.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/distgeom.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp:54: warning: ignoring '#pragma warning ' [-Wunknown-pragmas] 54 | #pragma warning(disable : 4244) // warning C4244: '=' : conversion from 'double' to 'float', possible loss of data | /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp:55: warning: ignoring '#pragma warning ' [-Wunknown-pragmas] 55 | #pragma warning(disable : 4305) // warning C4305: '*=' : truncation from 'double' to 'float' | /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp:619:3: warning: multi-line comment [-Wcomment] 619 | // \ | ^ [ 11%] Building CXX object src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/dlhandler_unix.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/confsearch.cpp: In member function 'bool OpenBabel::OBDiversePoses::AddPose(std::vector, double)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/confsearch.cpp:189:14: warning: unused variable 'min_rmsd' [-Wunused-variable] 189 | double min_rmsd = DBL_MAX; | ^~~~~~~~ [ 11%] Building CXX object src/CMakeFiles/openbabel.dir/depict/depict.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/depict/depict.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/depict.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp: In member function 'bool OpenBabel::OBDistanceGeometry::generateInitialCoords()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp:1089:16: warning: unused variable 'lb' [-Wunused-variable] 1089 | double lb = _d->GetLowerBounds(i, j); | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp:1090:16: warning: unused variable 'ub' [-Wunused-variable] 1090 | double ub = _d->GetUpperBounds(i, j); | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp: In member function 'bool OpenBabel::OBDistanceGeometry::firstMinimization()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp:1136:16: warning: unused variable 'lb' [-Wunused-variable] 1136 | double lb = _d->GetLowerBounds(i, j); | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp:1137:16: warning: unused variable 'ub' [-Wunused-variable] 1137 | double ub = _d->GetUpperBounds(i, j); | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp:1115:9: warning: unused variable 'niter' [-Wunused-variable] 1115 | int niter = solver.minimize(fun, _coord, fx); | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp: In member function 'bool OpenBabel::OBDistanceGeometry::minimizeFourthDimension()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp:1160:9: warning: unused variable 'niter' [-Wunused-variable] 1160 | int niter = solver.minimize(fun, _coord, fx); | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp: In member function 'double OpenBabel::DistGeomFunc::operator()(const VectorXd&, Eigen::VectorXd&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/distgeom.cpp:1325:23: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'Eigen::Index' {aka 'long int'} [-Wsign-compare] 1325 | for (size_t i=0; iGetFontMetrics(str); | ^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/depict.cpp:1029:21: warning: variable 'metrics' set but not used [-Wunused-but-set-variable] 1029 | OBFontMetrics metrics = painter->GetFontMetrics(subscript); | ^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp: In member function 'OpenBabel::OBConformerSearch::MakeSelection()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/conformersearch.cpp:549:31: warning: 'highest' may be used uninitialized in this function [-Wmaybe-uninitialized] 549 | double sum = 0.0, lowest, highest; | ^~~~~~~ [ 11%] Building CXX object src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/svgpainter.cpp In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/svgpainter.cpp:18: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/depict/svgpainter.h: In constructor 'OpenBabel::SVGPainter::SVGPainter(std::ostream&, std::set >*, bool, double, double)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/depict/svgpainter.h:77:11: warning: 'OpenBabel::SVGPainter::m_fontPointSize' will be initialized after [-Wreorder] 77 | int m_fontPointSize; | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/depict/svgpainter.h:75:12: warning: 'bool OpenBabel::SVGPainter::m_isFillcolor' [-Wreorder] 75 | bool m_isFillcolor; | ^~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/svgpainter.cpp:34:3: warning: when initialized here [-Wreorder] 34 | SVGPainter::SVGPainter(ostream& ofs, std::set* gradients, bool withViewBox, | ^~~~~~~~~~ In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/svgpainter.cpp:18: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/depict/svgpainter.h:75:12: warning: 'OpenBabel::SVGPainter::m_isFillcolor' will be initialized after [-Wreorder] 75 | bool m_isFillcolor; | ^~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/depict/svgpainter.h:74:32: warning: 'std::set >* OpenBabel::SVGPainter::m_Gradients' [-Wreorder] 74 | std::set *m_Gradients; | ^~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/svgpainter.cpp:34:3: warning: when initialized here [-Wreorder] 34 | SVGPainter::SVGPainter(ostream& ofs, std::set* gradients, bool withViewBox, | ^~~~~~~~~~ [ 11%] Building CXX object src/CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/math/matrix3x3.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/depict.cpp: In member function 'OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/depict.cpp:465:25: warning: 'max_z' may be used uninitialized in this function [-Wmaybe-uninitialized] 465 | d->zScale = max_z - min_z; | ~~~~~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/depict.cpp:465:25: warning: 'min_z' may be used uninitialized in this function [-Wmaybe-uninitialized] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/depict.cpp:463:22: warning: 'max_y' may be used uninitialized in this function [-Wmaybe-uninitialized] 463 | height = max_y - min_y + 2*margin; | ~~~~~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/depict.cpp:463:22: warning: 'min_y' may be used uninitialized in this function [-Wmaybe-uninitialized] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/depict.cpp:462:22: warning: 'max_x' may be used uninitialized in this function [-Wmaybe-uninitialized] 462 | width = max_x - min_x + 2*margin; | ~~~~~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/depict.cpp:462:22: warning: 'min_x' may be used uninitialized in this function [-Wmaybe-uninitialized] [ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/spacegroup.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/math/spacegroup.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/math/spacegroup.cpp [ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/transform3d.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/math/transform3d.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/math/transform3d.cpp [ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/vector3.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/math/vector3.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/math/vector3.cpp [ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/align.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/math/align.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/math/align.cpp [ 12%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/stereo.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/stereo/stereo.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/stereo.cpp [ 13%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/tetranonplanar.cpp [ 13%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/tetraplanar.cpp [ 13%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/squareplanar.cpp [ 13%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/cistrans.cpp [ 13%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/tetrahedral.cpp [ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/stereo/perception.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/perception.cpp [ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/facade.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/stereo/facade.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/facade.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/perception.cpp: In function 'bool OpenBabel::TetStereoToWedgeHash(OpenBabel::OBMol&, std::map&, std::map&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/perception.cpp:2795:5: warning: this 'for' clause does not guard... [-Wmisleading-indentation] 2795 | for (std::vector::iterator data = vdata.begin(); data != vdata.end(); ++data) | ^~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/perception.cpp:2951:7: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for' 2951 | return true; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/perception.cpp: In function 'void OpenBabel::StereoRefToImplicit(OpenBabel::OBMol&, OpenBabel::OBStereo::Ref)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/perception.cpp:2973:16: warning: 'template class std::binder1st' is deprecated [-Wdeprecated-declarations] 2973 | const std::binder1st > equal_to_atomId = std::bind1st (equal_to(), atomId); | ^~~~~~~~~ In file included from /usr/include/c++/10/bits/stl_function.h:1392, from /usr/include/c++/10/bits/stl_tree.h:65, from /usr/include/c++/10/map:60, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/base.h:26, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/stereo/stereo.h:27, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/stereo/tetranonplanar.h:27, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/stereo/tetrahedral.h:27, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/perception.cpp:26: /usr/include/c++/10/backward/binders.h:108:11: note: declared here 108 | class binder1st | ^~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/perception.cpp: In function 'void OpenBabel::ImplicitRefToStereo(OpenBabel::OBMol&, OpenBabel::OBStereo::Ref, OpenBabel::OBStereo::Ref)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/perception.cpp:3005:16: warning: 'template class std::binder1st' is deprecated [-Wdeprecated-declarations] 3005 | const std::binder1st > equal_to_implicitRef = std::bind1st (equal_to(), (OBStereo::Ref) OBStereo::ImplicitRef); | ^~~~~~~~~ In file included from /usr/include/c++/10/bits/stl_function.h:1392, from /usr/include/c++/10/bits/stl_tree.h:65, from /usr/include/c++/10/map:60, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/base.h:26, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/stereo/stereo.h:27, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/stereo/tetranonplanar.h:27, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/stereo/tetrahedral.h:27, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/perception.cpp:26: /usr/include/c++/10/backward/binders.h:108:11: note: declared here 108 | class binder1st | ^~~~~~~~~ [ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/stereo/gen3dstereohelper.cpp [ 14%] Linking CXX shared library ../lib64/libopenbabel.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/openbabel.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -Wl,-soname,libopenbabel.so.7 -o ../lib64/libopenbabel.so.7.0.0 CMakeFiles/openbabel.dir/alias.cpp.o CMakeFiles/openbabel.dir/atom.cpp.o CMakeFiles/openbabel.dir/base.cpp.o CMakeFiles/openbabel.dir/bitvec.cpp.o CMakeFiles/openbabel.dir/bond.cpp.o CMakeFiles/openbabel.dir/bondtyper.cpp.o CMakeFiles/openbabel.dir/builder.cpp.o CMakeFiles/openbabel.dir/canon.cpp.o CMakeFiles/openbabel.dir/chains.cpp.o CMakeFiles/openbabel.dir/chargemodel.cpp.o CMakeFiles/openbabel.dir/data.cpp.o CMakeFiles/openbabel.dir/data_utilities.cpp.o CMakeFiles/openbabel.dir/descriptor.cpp.o CMakeFiles/openbabel.dir/elements.cpp.o CMakeFiles/openbabel.dir/fingerprint.cpp.o CMakeFiles/openbabel.dir/forcefield.cpp.o CMakeFiles/openbabel.dir/format.cpp.o CMakeFiles/openbabel.dir/generic.cpp.o CMakeFiles/openbabel.dir/graphsym.cpp.o CMakeFiles/openbabel.dir/grid.cpp.o CMakeFiles/openbabel.dir/griddata.cpp.o CMakeFiles/openbabel.dir/isomorphism.cpp.o CMakeFiles/openbabel.dir/kekulize.cpp.o CMakeFiles/openbabel.dir/locale.cpp.o CMakeFiles/openbabel.dir/matrix.cpp.o CMakeFiles/openbabel.dir/mcdlutil.cpp.o CMakeFiles/openbabel.dir/molchrg.cpp.o CMakeFiles/openbabel.dir/mol.cpp.o CMakeFiles/openbabel.dir/obconversion.cpp.o CMakeFiles/openbabel.dir/oberror.cpp.o CMakeFiles/openbabel.dir/obfunctions.cpp.o CMakeFiles/openbabel.dir/obiter.cpp.o CMakeFiles/openbabel.dir/obutil.cpp.o CMakeFiles/openbabel.dir/op.cpp.o CMakeFiles/openbabel.dir/parsmart.cpp.o CMakeFiles/openbabel.dir/patty.cpp.o CMakeFiles/openbabel.dir/phmodel.cpp.o CMakeFiles/openbabel.dir/plugin.cpp.o CMakeFiles/openbabel.dir/pointgroup.cpp.o CMakeFiles/openbabel.dir/query.cpp.o CMakeFiles/openbabel.dir/rand.cpp.o CMakeFiles/openbabel.dir/reactionfacade.cpp.o CMakeFiles/openbabel.dir/residue.cpp.o CMakeFiles/openbabel.dir/ring.cpp.o CMakeFiles/openbabel.dir/rotamer.cpp.o CMakeFiles/openbabel.dir/rotor.cpp.o CMakeFiles/openbabel.dir/spectrophore.cpp.o CMakeFiles/openbabel.dir/tautomer.cpp.o CMakeFiles/openbabel.dir/tokenst.cpp.o CMakeFiles/openbabel.dir/transform.cpp.o CMakeFiles/openbabel.dir/typer.cpp.o CMakeFiles/openbabel.dir/obmolecformat.cpp.o CMakeFiles/openbabel.dir/conformersearch.cpp.o CMakeFiles/openbabel.dir/confsearch.cpp.o CMakeFiles/openbabel.dir/distgeom.cpp.o CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o CMakeFiles/openbabel.dir/depict/depict.cpp.o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o CMakeFiles/openbabel.dir/math/spacegroup.cpp.o CMakeFiles/openbabel.dir/math/transform3d.cpp.o CMakeFiles/openbabel.dir/math/vector3.cpp.o CMakeFiles/openbabel.dir/math/align.cpp.o CMakeFiles/openbabel.dir/stereo/stereo.cpp.o CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o CMakeFiles/openbabel.dir/stereo/perception.cpp.o CMakeFiles/openbabel.dir/stereo/facade.cpp.o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -Wl,-rpath,::::::::::::::: -lm -ldl -lz -pthread cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_symlink_library ../lib64/libopenbabel.so.7.0.0 ../lib64/libopenbabel.so.7 ../lib64/libopenbabel.so gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 14%] Built target openbabel /usr/bin/gmake -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/depend /usr/bin/gmake -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/depend /usr/bin/gmake -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/depend /usr/bin/gmake -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_charges.dir/DependInfo.cmake --color= gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_ops.dir/DependInfo.cmake --color= gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_forcefields.dir/DependInfo.cmake --color= gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_fingerprints.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_charges.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_charges.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_ops.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_ops.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_ops.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_charges.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_forcefields.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_forcefields.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_forcefields.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_fingerprints.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_fingerprints.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_fingerprints.dir/depend.internal". Scanning dependencies of target plugin_fingerprints gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' Scanning dependencies of target plugin_forcefields gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/build [ 15%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/fingerprints/finger2.cpp gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 15%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldgaff.cpp Scanning dependencies of target plugin_charges gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/build Scanning dependencies of target plugin_ops gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 15%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/eem.cpp [ 15%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/addfilename.cpp [ 16%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/addinindex.cpp [ 17%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/gasteiger.cpp [ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/addpolarh.cpp [ 17%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/fingerprints/finger3.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/fingerprints/finger3.cpp: In member function 'virtual bool OpenBabel::PatternFP::GetFingerprint(OpenBabel::OBBase*, std::vector&, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/fingerprints/finger3.cpp:109:13: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 109 | while(n < _bitcount) | ~~^~~~~~~~~~~ [ 17%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_charges.dir/charges/none.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/none.cpp [ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/addnonpolarh.cpp [ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/canonical.cpp [ 17%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/mmff94.cpp [ 17%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/fingerprints/fingerecfp.cpp [ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/changecell.cpp [ 17%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/fromfile.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/changecell.cpp: In member function 'virtual bool OpenBabel::OpChangeCell::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/changecell.cpp:88:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 88 | for(int i = 0; i < vcvs.size(); i++) | ~~^~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/changecell.cpp:119:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 119 | for(int i = 0; i < vcvs.size(); i++) | ~~^~~~~~~~~~~~~ [ 17%] Linking CXX shared module ../lib64/plugin_fingerprints.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_fingerprints.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../lib64/plugin_fingerprints.so CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/fromfile.cpp: In member function 'virtual bool OpenBabel::FromFileCharges::ComputeCharges(OpenBabel::OBMol&, const char*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/fromfile.cpp:102:22: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 102 | for ( int i = 1; i <= mol.NumAtoms(); i++) | ~~^~~~~~~~~~~~~~~~~ [ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/delpolarh.cpp [ 19%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldghemical.cpp [ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/delnonpolarh.cpp [ 19%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/eqeq.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 19%] Built target plugin_fingerprints /usr/bin/gmake -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_descriptors.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_descriptors.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_descriptors.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_descriptors.dir/depend.internal". Scanning dependencies of target plugin_descriptors gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 19%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptors/cansmidescriptor.cpp [ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/gen2D.cpp [ 19%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptors/cmpdfilter.cpp [ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/fillUC.cpp [ 20%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptors/groupcontrib.cpp [ 20%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/forcefield.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/forcefield.cpp: In member function 'virtual bool OpenBabel::OpMinimize::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/forcefield.cpp:265:10: warning: unused variable 'done' [-Wunused-variable] 265 | bool done = true; | ^~~~ [ 20%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptors/filters.cpp [ 20%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp [ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/gen3d.cpp [ 21%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptors/inchidescriptor.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In member function 'virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:2798:32: warning: variable 'bondtype1' set but not used [-Wunused-but-set-variable] 2798 | int angletype, strbndtype, bondtype1, bondtype2; | ^~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:2798:43: warning: variable 'bondtype2' set but not used [-Wunused-but-set-variable] 2798 | int angletype, strbndtype, bondtype1, bondtype2; | ^~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Bond() [with bool = true]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h:289:41: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:148:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 148 | for (int i = 0; i < _bondcalculations.size(); ++i) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Bond() [with bool = false]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h:289:59: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:148:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Angle() [with bool = true]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h:295:42: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:263:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 263 | for (int i = 0; i < _anglecalculations.size(); ++i) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Angle() [with bool = false]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h:295:61: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:263:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_StrBnd() [with bool = true]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h:301:43: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:376:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 376 | for (int i = 0; i < _strbndcalculations.size(); ++i) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_StrBnd() [with bool = false]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h:301:63: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:376:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Torsion() [with bool = true]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h:307:44: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:512:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 512 | for (int i = 0; i < _torsioncalculations.size(); ++i) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Torsion() [with bool = false]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h:307:65: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:512:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_OOP() [with bool = true]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h:313:40: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:610:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 610 | for (int i = 0; i < _oopcalculations.size(); ++i) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_OOP() [with bool = false]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h:313:57: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:610:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_VDW() [with bool = true]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h:319:40: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:707:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 707 | for (int i = 0; i < _vdwcalculations.size(); ++i) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_VDW() [with bool = false]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h:319:57: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:707:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Electrostatic() [with bool = true]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h:325:50: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:793:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 793 | for (int i = 0; i < _electrostaticcalculations.size(); ++i) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In instantiation of 'double OpenBabel::OBForceFieldMMFF94::E_Electrostatic() [with bool = false]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.h:325:77: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:793:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptors/inchidescriptor.cpp:24: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h: In member function 'bool OpenBabel::InChIFormat::InchiLess::operator()(const string&, const string&) const': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h:149:13: warning: this 'while' clause does not guard... [-Wmisleading-indentation] 149 | while(p1!=s1.end() && isdigit(*p1++)); --p1; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while' 149 | while(p1!=s1.end() && isdigit(*p1++)); --p1; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h:154:13: warning: this 'while' clause does not guard... [-Wmisleading-indentation] 154 | while(p2!=s2.end() && isdigit(*p2++)); --p2; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while' 154 | while(p2!=s2.end() && isdigit(*p2++)); --p2; | ^~ [ 21%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/descriptors/smartsdescriptors.cpp [ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/largest.cpp [ 21%] Linking CXX shared module ../lib64/plugin_descriptors.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_descriptors.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../lib64/plugin_descriptors.so CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp: In member function 'OpenBabel::OBForceFieldMMFF94::PerceiveAromatic()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:1451:30: warning: 'first_rj' may be used uninitialized in this function [-Wmaybe-uninitialized] 1451 | ringbond = _mol.GetBond(first_rj, index); | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefieldmmff94.cpp:1451:30: warning: 'index' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 21%] Built target plugin_descriptors /usr/bin/gmake -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cacaoformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cacaoformat.dir/depend.internal". Scanning dependencies of target cacaoformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 21%] Building CXX object src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcacaoformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cacaoformat.cpp [ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/loader.cpp [ 21%] Linking CXX shared module ../../lib64/cacaoformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacaoformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/cacaoformat.so CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/neutralize.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 21%] Built target cacaoformat /usr/bin/gmake -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mdffformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mdffformat.dir/depend.internal". Scanning dependencies of target mdffformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 21%] Building CXX object src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmdffformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/mdffformat.dir/mdffformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdffformat.cpp [ 22%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/qeq.cpp [ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opsplit.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdffformat.cpp: In member function 'virtual bool OpenBabel::MDFFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdffformat.cpp:249:30: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 249 | for(int i = 0; i < atom_t_prop.size(); i++) | ~~^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdffformat.cpp:270:33: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 270 | for(unsigned int j = 0; j < atom_t_prop[i].num_of_atoms; j++) | ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdffformat.cpp: In member function 'bool OpenBabel::aindx::operator<(const OpenBabel::aindx&) const': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdffformat.cpp:329:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 329 | for(int i = 0; i < vs.size(); i++) | ~~^~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdffformat.cpp: In member function 'virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdffformat.cpp:388:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 388 | for(int i = 0; i < vs.size(); i++) | ~~^~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdffformat.cpp:443:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector, unsigned int> >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 443 | for (int i = 0; i < atypes_def.size(); i++) | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdffformat.cpp:450:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector, unsigned int> >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 450 | for (int i = 0; i < atypes_def.size(); i++) | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdffformat.cpp:500:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector, unsigned int> >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 500 | for(int j = 0; j < atypes_def.size(); j++) | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opsplit.cpp: In member function 'virtual bool OpenBabel::OpSplit::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opsplit.cpp:92:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 92 | if(!pConv) | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opsplit.cpp:95:5: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 95 | if(pConv->IsFirstInput()) | ^~ [ 23%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/optransform.cpp [ 23%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefielduff.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefielduff.cpp: In instantiation of 'void OpenBabel::OBFFVDWCalculationUFF::Compute() [with bool = true]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefielduff.cpp:478:37: required from 'double OpenBabel::OBForceFieldUFF::E_VDW() [with bool = true]' /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefielduff.h:193:38: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefielduff.cpp:431:14: warning: unused variable 'ab' [-Wunused-variable] 431 | double ab[3]; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefielduff.cpp: In instantiation of 'void OpenBabel::OBFFVDWCalculationUFF::Compute() [with bool = false]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefielduff.cpp:478:37: required from 'double OpenBabel::OBForceFieldUFF::E_VDW() [with bool = false]' /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefielduff.h:193:55: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/forcefields/forcefielduff.cpp:431:14: warning: unused variable 'ab' [-Wunused-variable] [ 24%] Linking CXX shared module ../../lib64/mdffformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdffformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/mdffformat.so CMakeFiles/mdffformat.dir/mdffformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/partialcharges.cpp [ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/readconformers.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 24%] Built target mdffformat /usr/bin/gmake -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/acrformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/acrformat.dir/depend.internal". Scanning dependencies of target acrformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 25%] Building CXX object src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dacrformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/acrformat.dir/acrformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/acrformat.cpp [ 25%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/sort.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/acrformat.cpp: In member function 'OpenBabel::ACRFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/acrformat.cpp:140:40: warning: 'scale' may be used uninitialized in this function [-Wmaybe-uninitialized] 140 | X = atof((char*)vs[6].c_str())/scale; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/acrformat.cpp:162:5: warning: 'bonds' may be used uninitialized in this function [-Wmaybe-uninitialized] 162 | if ( pmol->NumBonds() != bonds ) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/acrformat.cpp:166:12: warning: 'atoms' may be used uninitialized in this function [-Wmaybe-uninitialized] 166 | } else if ( pmol->NumAtoms() != atoms ) { | ^~ [ 25%] Linking CXX shared module ../../lib64/acrformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acrformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/acrformat.so CMakeFiles/acrformat.dir/acrformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 25%] Built target acrformat /usr/bin/gmake -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/balstformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/balstformat.dir/depend.internal". Scanning dependencies of target balstformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 25%] Building CXX object src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbalstformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/balstformat.dir/balstformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/balstformat.cpp [ 25%] Linking CXX shared module ../../lib64/balstformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/balstformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/balstformat.so CMakeFiles/balstformat.dir/balstformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 25%] Built target balstformat /usr/bin/gmake -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/MCDLformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/MCDLformat.dir/depend.internal". Scanning dependencies of target MCDLformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 25%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opisomorph.cpp [ 26%] Building CXX object src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMCDLformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp [ 26%] Linking CXX shared module ../lib64/plugin_forcefields.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_forcefields.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../lib64/plugin_forcefields.so CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp: In member function 'void OpenBabel::MCDLFormat::solve(int, int (*)[4], int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp:283:9: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 283 | if (jflag) | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp:287:13: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 287 | nt = 1; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp: In member function 'void OpenBabel::MCDLFormat::setMCDL(std::string, OpenBabel::OBMol*, std::string&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp:1267:15: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 1267 | if (nPrev == acount) { | ~~~~~~^~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp: In member function 'int OpenBabel::MCDLFormat::indexOf(std::string, std::string, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp:1385:16: warning: comparison of integer expressions of different signedness: 'int' and 'const size_type' {aka 'const long unsigned int'} [-Wsign-compare] 1385 | if (result == string::npos) result=-1; | ~~~~~~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp:1386:16: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string::size_type' {aka 'long unsigned int'} [-Wsign-compare] 1386 | if (result >= instring.length()) result=-1; | ~~~~~~~^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp: In member function 'int OpenBabel::MCDLFormat::lastIndexOf(std::string, std::string)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp:1399:11: warning: comparison of integer expressions of different signedness: 'int' and 'const size_type' {aka 'const long unsigned int'} [-Wsign-compare] 1399 | if (n == string::npos) | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opisomorph.cpp: In member function 'virtual bool OpenBabel::OpNewS::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opisomorph.cpp:303:28: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 303 | if(pmol->NumHvyAtoms() != nPatternAtoms) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp: In member function 'OpenBabel::MCDLFormat::solve(int, int (*) [4], int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp:400:22: warning: 'dupfrag' may be used uninitialized in this function [-Wmaybe-uninitialized] 400 | else if (ix[i] == dupfrag && j != dupnum) | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp:399:35: warning: 'jump' may be used uninitialized in this function [-Wmaybe-uninitialized] 399 | ix[i] = mx[i] + jump + 1; | ~~~~~~^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MCDLformat.cpp:390:24: warning: 'numdups' may be used uninitialized in this function [-Wmaybe-uninitialized] 390 | for (j=0; jpmol->NumAtoms() || p2>pmol->NumAtoms()){ | ~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/conformer.cpp:291:42: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 291 | if (p1>pmol->NumAtoms() || p2>pmol->NumAtoms()){ | ~~^~~~~~~~~~~~~~~~~ [ 27%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opalign.cpp [ 27%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opconfab.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 27%] Built target MCDLformat /usr/bin/gmake -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/molproformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/molproformat.dir/depend.internal". Scanning dependencies of target molproformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 27%] Building CXX object src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmolproformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/molproformat.dir/molproformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/molproformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opconfab.cpp: In member function 'void OpenBabel::OpConfab::Run(OpenBabel::OBConversion*, OpenBabel::OBMol*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/opconfab.cpp:167:14: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 167 | for (; c < mol.NumConformers(); ++c) { | ~~^~~~~~~~~~~~~~~~~~~~~ [ 27%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/charges/qtpie.cpp [ 28%] Linking CXX shared module ../lib64/plugin_ops.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_ops.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../lib64/plugin_ops.so CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o CMakeFiles/plugin_ops.dir/ops/xout.cpp.o CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 28%] Linking CXX shared module ../../lib64/molproformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molproformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/molproformat.so CMakeFiles/molproformat.dir/molproformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 28%] Built target molproformat /usr/bin/gmake -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/orcaformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/orcaformat.dir/depend.internal". Scanning dependencies of target orcaformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 28%] Building CXX object src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dorcaformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/orcaformat.dir/orcaformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/orcaformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/orcaformat.cpp: In member function 'virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/orcaformat.cpp:348:33: warning: comparison of integer expressions of different signedness: 'std::vector >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 348 | while(vs.size() == nColumn+1) { | ~~~~~~~~~~^~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/orcaformat.cpp:363:48: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 363 | for (unsigned int i = 0; i < nColumn; i++) { | ~~^~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/orcaformat.cpp:375:44: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 375 | for (unsigned int i = 0; i < nColumn; i++) { | ~~^~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/orcaformat.cpp:131:12: warning: unused variable 'energy' [-Wunused-variable] 131 | double energy=0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/orcaformat.cpp:138:9: warning: variable 'nModeAll' set but not used [-Wunused-but-set-variable] 138 | int nModeAll = 0; | ^~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 28%] Built target plugin_forcefields /usr/bin/gmake -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/zindoformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/zindoformat.dir/depend.internal". Scanning dependencies of target zindoformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 28%] Building CXX object src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dzindoformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/zindoformat.dir/zindoformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/zindoformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/orcaformat.cpp:220:36: warning: 'atom' may be used uninitialized in this function [-Wmaybe-uninitialized] 220 | atom->SetVector(x,y,z); //set atom coordinates | ~~~~~~~~~~~~~~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/orcaformat.cpp:217:37: warning: 'confCoords' may be used uninitialized in this function [-Wmaybe-uninitialized] 217 | confCoords[i*3+2] = z; | ^ [ 29%] Linking CXX shared module ../../lib64/zindoformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/zindoformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/zindoformat.so CMakeFiles/zindoformat.dir/zindoformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 29%] Built target zindoformat /usr/bin/gmake -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xsfformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xsfformat.dir/depend.internal". Scanning dependencies of target xsfformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 29%] Building CXX object src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxsfformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/xsfformat.dir/xsfformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xsfformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 29%] Built target plugin_ops /usr/bin/gmake -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gausscubeformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gausscubeformat.dir/depend.internal". Scanning dependencies of target gausscubeformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 29%] Building CXX object src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgausscubeformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gausscubeformat.cpp [ 29%] Linking CXX shared module ../../lib64/orcaformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/orcaformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/orcaformat.so CMakeFiles/orcaformat.dir/orcaformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gausscubeformat.cpp: In member function 'virtual bool OpenBabel::OBGaussianCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gausscubeformat.cpp:432:25: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 432 | while (vgd.size() < nCubes) | ~~~~~~~~~~~^~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gausscubeformat.cpp:479:26: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 479 | while (values.size() < n*nCubes) | ~~~~~~~~~~~~~~^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gausscubeformat.cpp:114:17: warning: unused variable 'title' [-Wunused-variable] 114 | const char* title = pConv->GetTitle(); | ^~~~~ [ 29%] Linking CXX shared module ../../lib64/xsfformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xsfformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/xsfformat.so CMakeFiles/xsfformat.dir/xsfformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 29%] Built target xsfformat /usr/bin/gmake -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/qchemformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/qchemformat.dir/depend.internal". Scanning dependencies of target qchemformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 29%] Building CXX object src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dqchemformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/qchemformat.dir/qchemformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/qchemformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/qchemformat.cpp: In member function 'virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/qchemformat.cpp:194:28: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 194 | if (nbAtomRead != mol.NumAtoms()) | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 29%] Built target orcaformat /usr/bin/gmake -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/crkformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/crkformat.dir/depend.internal". Scanning dependencies of target crkformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 29%] Building CXX object src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcrkformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/crkformat.dir/crkformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crkformat.cpp [ 29%] Linking CXX shared module ../../lib64/gausscubeformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausscubeformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/gausscubeformat.so CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crkformat.cpp: In function 'OpenBabel::CRK2DFormat::ReadCRK(std::basic_istream >&, OpenBabel::OBMol&, char const*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crkformat.cpp:309:38: warning: 'bondStyle' may be used uninitialized in this function [-Wmaybe-uninitialized] 309 | stbondStyle[numBonds]=bondStyle; | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crkformat.cpp:307:35: warning: 'bondTo' may be used uninitialized in this function [-Wmaybe-uninitialized] 307 | stbondTo[numBonds]=bondTo; | ~~~~~~~~~~~~~~~~~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crkformat.cpp:306:37: warning: 'bondFrom' may be used uninitialized in this function [-Wmaybe-uninitialized] 306 | stbondFrom[numBonds]=bondFrom; | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crkformat.cpp:292:36: warning: 'atomCharge' may be used uninitialized in this function [-Wmaybe-uninitialized] 292 | atm.SetFormalCharge((int)atomCharge); | ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crkformat.cpp:291:30: warning: 'atomZ' may be used uninitialized in this function [-Wmaybe-uninitialized] 291 | atm.SetVector(atomX,atomY,atomZ); | ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crkformat.cpp:291:30: warning: 'atomY' may be used uninitialized in this function [-Wmaybe-uninitialized] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crkformat.cpp:291:30: warning: 'atomX' may be used uninitialized in this function [-Wmaybe-uninitialized] In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crkformat.cpp:18: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/atom.h:136:52: warning: 'atomNumber' may be used uninitialized in this function [-Wmaybe-uninitialized] 136 | void SetAtomicNum(int atomicnum) { _ele = (char)atomicnum; } | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crkformat.cpp:246:16: note: 'atomNumber' was declared here 246 | int atomID,atomNumber; | ^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crkformat.cpp:288:37: warning: 'atomID' may be used uninitialized in this function [-Wmaybe-uninitialized] 288 | statomID[numAtoms++]=atomID; | ~~~~~~~~~~~~~~~~~~~~^~~~~~~ [ 29%] Linking CXX shared module ../../lib64/qchemformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/qchemformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/qchemformat.so CMakeFiles/qchemformat.dir/qchemformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 29%] Linking CXX shared module ../../lib64/crkformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crkformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/crkformat.so CMakeFiles/crkformat.dir/crkformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 29%] Built target gausscubeformat /usr/bin/gmake -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mmodformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mmodformat.dir/depend.internal". Scanning dependencies of target mmodformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 30%] Building CXX object src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmmodformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/mmodformat.dir/mmodformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mmodformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 30%] Built target crkformat /usr/bin/gmake -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/amberformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/amberformat.dir/depend.internal". Scanning dependencies of target amberformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 30%] Building CXX object src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Damberformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/amberformat.dir/amberformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/amberformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 30%] Built target qchemformat /usr/bin/gmake -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/titleformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/titleformat.dir/depend.internal". Scanning dependencies of target titleformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 31%] Building CXX object src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtitleformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/titleformat.dir/titleformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/titleformat.cpp [ 31%] Linking CXX shared module ../../lib64/amberformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/amberformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/amberformat.so CMakeFiles/amberformat.dir/amberformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 31%] Linking CXX shared module ../../lib64/mmodformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmodformat.dir/link.txt --verbose=1 [ 31%] Linking CXX shared module ../../lib64/titleformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/titleformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/mmodformat.so CMakeFiles/mmodformat.dir/mmodformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/titleformat.so CMakeFiles/titleformat.dir/titleformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 31%] Built target amberformat /usr/bin/gmake -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/acesformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/acesformat.dir/depend.internal". Scanning dependencies of target acesformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 31%] Building CXX object src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dacesformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/acesformat.dir/acesformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/acesformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 31%] Built target titleformat /usr/bin/gmake -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CSRformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CSRformat.dir/depend.internal". Scanning dependencies of target CSRformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 31%] Building CXX object src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DCSRformat_EXPORTS -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/CSRformat.dir/CSRformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/CSRformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 31%] Built target mmodformat /usr/bin/gmake -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/moldenformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/moldenformat.dir/depend.internal". Scanning dependencies of target moldenformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 31%] Building CXX object src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmoldenformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/moldenformat.dir/moldenformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/moldenformat.cpp In file included from /usr/include/string.h:519, from /usr/include/c++/10/cstring:42, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/plugin.h:29, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/format.h:22, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:37, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/CSRformat.cpp:17: In function 'strncpy', inlined from 'OpenBabel::CSRFormat::PadString(char*, int)' at /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/CSRformat.cpp:192:12: /usr/include/bits/string_fortified.h:106:34: warning: 'strncpy' output truncated before terminating nul copying as many bytes from a string as its length [-Wstringop-truncation] 106 | return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest)); | ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/CSRformat.cpp: In member function 'OpenBabel::CSRFormat::PadString(char*, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/CSRformat.cpp:192:12: note: length computed here 192 | strncpy(output, input, strlen(input)); | ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 31%] Linking CXX shared module ../../lib64/CSRformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/CSRformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/CSRformat.so CMakeFiles/CSRformat.dir/CSRformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread In function 'strncpy', inlined from 'PadString' at /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/CSRformat.cpp:192:12: /usr/include/bits/string_fortified.h:106:34: warning: '__builtin_strncpy' specified bound depends on the length of the source argument [-Wstringop-overflow=] 106 | return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest)); | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/CSRformat.cpp: In member function 'PadString': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/CSRformat.cpp:192:12: note: length computed here 192 | strncpy(output, input, strlen(input)); | ^ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 31%] Built target CSRformat /usr/bin/gmake -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/bgfformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/bgfformat.dir/depend.internal". Scanning dependencies of target bgfformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 32%] Building CXX object src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbgfformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/bgfformat.dir/bgfformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/bgfformat.cpp [ 32%] Linking CXX shared module ../../lib64/acesformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acesformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/acesformat.so CMakeFiles/acesformat.dir/acesformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 32%] Built target acesformat /usr/bin/gmake -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mopacformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mopacformat.dir/depend.internal". Scanning dependencies of target mopacformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 33%] Building CXX object src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmopacformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/mopacformat.dir/mopacformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mopacformat.cpp [ 33%] Linking CXX shared module ../../lib64/bgfformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/bgfformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/bgfformat.so CMakeFiles/bgfformat.dir/bgfformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 34%] Linking CXX shared module ../../lib64/moldenformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldenformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/moldenformat.so CMakeFiles/moldenformat.dir/moldenformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mopacformat.cpp: In member function 'virtual bool OpenBabel::MOPACCARTFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mopacformat.cpp:650:19: warning: variable 'isotopeMass' set but not used [-Wunused-but-set-variable] 650 | double x,y,z, isotopeMass; | ^~~~~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 34%] Built target bgfformat /usr/bin/gmake -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xyzformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xyzformat.dir/depend.internal". Scanning dependencies of target xyzformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 35%] Building CXX object src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxyzformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/xyzformat.dir/xyzformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xyzformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 35%] Built target moldenformat /usr/bin/gmake -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/jaguarformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/jaguarformat.dir/depend.internal". Scanning dependencies of target jaguarformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 35%] Building CXX object src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Djaguarformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/jaguarformat.cpp [ 35%] Linking CXX shared module ../../lib64/xyzformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xyzformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/xyzformat.so CMakeFiles/xyzformat.dir/xyzformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/atom.h:35, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mopacformat.cpp:19: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mopacformat.cpp: In member function 'OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/math/vector3.h:90:11: warning: 'y' may be used uninitialized in this function [-Wmaybe-uninitialized] 90 | _vy = inY; | ~~~~^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mopacformat.cpp:81:14: note: 'y' was declared here 81 | double x,y,z; | ^ In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/atom.h:35, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mopacformat.cpp:19: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/math/vector3.h:89:11: warning: 'x' may be used uninitialized in this function [-Wmaybe-uninitialized] 89 | _vx = inX; | ~~~~^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mopacformat.cpp:81:12: note: 'x' was declared here 81 | double x,y,z; | ^ [ 35%] Linking CXX shared module ../lib64/plugin_charges.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_charges.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../lib64/plugin_charges.so CMakeFiles/plugin_charges.dir/charges/eem.cpp.o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o CMakeFiles/plugin_charges.dir/charges/none.cpp.o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 35%] Built target xyzformat /usr/bin/gmake -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mol2format.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mol2format.dir/depend.internal". Scanning dependencies of target mol2format gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 35%] Building CXX object src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmol2format_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/mol2format.dir/mol2format.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mol2format.cpp [ 35%] Linking CXX shared module ../../lib64/jaguarformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/jaguarformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/jaguarformat.so CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 35%] Linking CXX shared module ../../lib64/mopacformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mopacformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/mopacformat.so CMakeFiles/mopacformat.dir/mopacformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mol2format.cpp: In member function 'virtual bool OpenBabel::MOL2Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mol2format.cpp:422:22: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 422 | if(aid <= mol.NumAtoms()) | ~~~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mol2format.cpp: In member function 'virtual int OpenBabel::MOL2Format::SkipObjects(int, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mol2format.cpp:785:10: warning: unused variable 'ch' [-Wunused-variable] 785 | char ch = ifs.peek(); | ^~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 35%] Built target jaguarformat /usr/bin/gmake -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/hinformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/hinformat.dir/depend.internal". Scanning dependencies of target hinformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 35%] Building CXX object src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dhinformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/hinformat.dir/hinformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/hinformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mol2format.cpp: At global scope: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mol2format.cpp:86:15: warning: 'bool OpenBabel::IsThiocarboxylSulfur(OpenBabel::OBAtom*)' defined but not used [-Wunused-function] 86 | static bool IsThiocarboxylSulfur(OBAtom* queryatom) | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mol2format.cpp: In member function 'OpenBabel::MOL2Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mol2format.cpp:720:40: warning: '%-6s' directive output may be truncated writing between 6 and 32767 bytes into a region of size between 32756 and 32760 [-Wformat-truncation=] 720 | snprintf(buffer,BUFF_SIZE,"%7d %-6s %9.4f %9.4f %9.4f %-5s %3s %-8s %9.4f", | ^~~~ 721 | atom->GetIdx(),label, | ~~~~~ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mol2format.cpp:17: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output 77 or more bytes (assuming 32838) into a destination of size 32768 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 35%] Linking CXX shared module ../../lib64/hinformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/hinformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/hinformat.so CMakeFiles/hinformat.dir/hinformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 35%] Built target mopacformat /usr/bin/gmake -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gausszmatformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gausszmatformat.dir/depend.internal". Scanning dependencies of target gausszmatformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 35%] Building CXX object src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgausszmatformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gausszmatformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 35%] Built target hinformat /usr/bin/gmake -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/alchemyformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/alchemyformat.dir/depend.internal". Scanning dependencies of target alchemyformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 35%] Building CXX object src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dalchemyformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/alchemyformat.cpp [ 35%] Linking CXX shared module ../../lib64/mol2format.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mol2format.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/mol2format.so CMakeFiles/mol2format.dir/mol2format.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 36%] Linking CXX shared module ../../lib64/alchemyformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/alchemyformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/alchemyformat.so CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 36%] Built target mol2format /usr/bin/gmake -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rxnformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rxnformat.dir/depend.internal". Scanning dependencies of target rxnformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 36%] Building CXX object src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Drxnformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/rxnformat.dir/rxnformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/rxnformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 36%] Built target alchemyformat /usr/bin/gmake -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pwscfformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pwscfformat.dir/depend.internal". Scanning dependencies of target pwscfformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 36%] Building CXX object src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpwscfformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pwscfformat.cpp [ 36%] Linking CXX shared module ../../lib64/gausszmatformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausszmatformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/gausszmatformat.so CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/rxnformat.cpp: In member function 'virtual bool OpenBabel::RXNFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/rxnformat.cpp:196:22: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 196 | for (int i=0; i >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 133 | if(vs.size() < offset+9) | ~~~~~~~~~~^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cofformat.cpp:180:26: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 180 | for(int j=0 ; j< natoms ; j++) | ~^~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cofformat.cpp: In member function 'virtual bool OpenBabel::COFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cofformat.cpp:368:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 368 | for( int j=0; j::size_type' {aka 'long unsigned int'} [-Wsign-compare] 129 | for (int i=1; i < binvals.size(); i++) | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/confabreport.cpp:134:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 134 | for (int i=1; i < cumbins.size(); i++) | ~~^~~~~~~~~~~~~~~~ [ 38%] Linking CXX shared module ../../lib64/reportformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/reportformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/reportformat.so CMakeFiles/reportformat.dir/reportformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 38%] Built target reportformat /usr/bin/gmake -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/castepformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/castepformat.dir/depend.internal". Scanning dependencies of target castepformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 38%] Building CXX object src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcastepformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/castepformat.dir/castepformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/castepformat.cpp [ 38%] Linking CXX shared module ../../lib64/chem3dformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chem3dformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/chem3dformat.so CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 38%] Linking CXX shared module ../../lib64/confabreport.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/confabreport.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/confabreport.so CMakeFiles/confabreport.dir/confabreport.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 38%] Built target chem3dformat /usr/bin/gmake -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/adfformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/adfformat.dir/depend.internal". Scanning dependencies of target adfformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 38%] Building CXX object src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dadfformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/adfformat.dir/adfformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/adfformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 38%] Built target confabreport /usr/bin/gmake -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/outformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/outformat.dir/depend.internal". Scanning dependencies of target outformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 38%] Building CXX object src/formats/CMakeFiles/outformat.dir/outformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Doutformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/outformat.dir/outformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/outformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/adfformat.cpp: In member function 'bool OpenBabel::OBT41Format::ReadASCII(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/adfformat.cpp:871:7: warning: this 'while' clause does not guard... [-Wmisleading-indentation] 871 | while( buf != "Geometry" ) ifs >> buf; cout << buf << endl; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/adfformat.cpp:871:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while' 871 | while( buf != "Geometry" ) ifs >> buf; cout << buf << endl; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/adfformat.cpp:884:7: warning: this 'while' clause does not guard... [-Wmisleading-indentation] 884 | while( buf != "Geometry" ) ifs >> buf; cout << buf << endl; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/adfformat.cpp:884:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while' 884 | while( buf != "Geometry" ) ifs >> buf; cout << buf << endl; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/adfformat.cpp:906:7: warning: this 'while' clause does not guard... [-Wmisleading-indentation] 906 | while( buf != "Geometry" ) ifs >> buf; cout << buf << endl; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/adfformat.cpp:906:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while' 906 | while( buf != "Geometry" ) ifs >> buf; cout << buf << endl; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/adfformat.cpp:921:7: warning: this 'while' clause does not guard... [-Wmisleading-indentation] 921 | while( buf != "Geometry" ) ifs >> buf; cout << buf << endl; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/adfformat.cpp:921:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while' 921 | while( buf != "Geometry" ) ifs >> buf; cout << buf << endl; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/adfformat.cpp:936:7: warning: this 'while' clause does not guard... [-Wmisleading-indentation] 936 | while( buf != "Geometry" ) ifs >> buf; cout << buf << endl; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/adfformat.cpp:936:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while' 936 | while( buf != "Geometry" ) ifs >> buf; cout << buf << endl; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/castepformat.cpp: In member function 'OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/castepformat.cpp:195:21: warning: 'volume' may be used uninitialized in this function [-Wmaybe-uninitialized] 195 | pv = volume * pressure * GPA_A3_TO_KCAL_PER_MOL; | ~~~~~~~^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/castepformat.cpp:195:21: warning: 'pressure' may be used uninitialized in this function [-Wmaybe-uninitialized] [ 39%] Linking CXX shared module ../../lib64/castepformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/castepformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/castepformat.so CMakeFiles/castepformat.dir/castepformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 39%] Built target plugin_charges /usr/bin/gmake -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/nulformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/nulformat.dir/depend.internal". Scanning dependencies of target nulformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 40%] Building CXX object src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dnulformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/nulformat.dir/nulformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nulformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 40%] Built target castepformat /usr/bin/gmake -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/textformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/textformat.dir/depend.internal". Scanning dependencies of target textformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 40%] Building CXX object src/formats/CMakeFiles/textformat.dir/textformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtextformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/textformat.dir/textformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/textformat.cpp [ 40%] Linking CXX shared module ../../lib64/outformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/outformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/outformat.so CMakeFiles/outformat.dir/outformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 40%] Linking CXX shared module ../../lib64/nulformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nulformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/nulformat.so CMakeFiles/nulformat.dir/nulformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 40%] Built target nulformat /usr/bin/gmake -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pqrformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pqrformat.dir/depend.internal". Scanning dependencies of target pqrformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 40%] Building CXX object src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpqrformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/pqrformat.dir/pqrformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pqrformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 40%] Built target outformat /usr/bin/gmake -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/stlformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/stlformat.dir/depend.internal". Scanning dependencies of target stlformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 40%] Building CXX object src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dstlformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/stlformat.dir/stlformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/stlformat.cpp [ 41%] Linking CXX shared module ../../lib64/textformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/textformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/textformat.so CMakeFiles/textformat.dir/textformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pqrformat.cpp: In function 'double OpenBabel::parseAtomCharge(char*, OpenBabel::OBMol&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pqrformat.cpp:207:13: warning: unused variable 'atom' [-Wunused-variable] 207 | OBAtom *atom = mol.GetAtom(mol.NumAtoms()); | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pqrformat.cpp: In function 'double OpenBabel::parseAtomRadius(char*, OpenBabel::OBMol&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pqrformat.cpp:222:13: warning: unused variable 'atom' [-Wunused-variable] 222 | OBAtom *atom = mol.GetAtom(mol.NumAtoms()); | ^~~~ [ 41%] Built target textformat /usr/bin/gmake -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/nwchemformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/nwchemformat.dir/depend.internal". Scanning dependencies of target nwchemformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 41%] Building CXX object src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dnwchemformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/stlformat.cpp: In function 'void OpenBabel::map_sphere(std::vector&, OpenBabel::vector3, double, uint16_t)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/stlformat.cpp:157:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 157 | for( int i=0 ; i < points.size()-2; i++ ) { | ~~^~~~~~~~~~~~~~~~~ [ 41%] Linking CXX shared module ../../lib64/adfformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/adfformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/adfformat.so CMakeFiles/adfformat.dir/adfformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp: In member function 'void OpenBabel::NWChemOutputFormat::ReadCoordinates(std::istream*, OpenBabel::OBMol*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp:228:72: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 228 | if ((i>=natoms) || (molecule->GetAtom(i+1)->GetAtomicNum() != atoi(vs[2].c_str()))) | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp: In member function 'void OpenBabel::NWChemOutputFormat::ReadMultipoleMoment(std::istream*, OpenBabel::OBMol*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp:306:17: warning: suggest explicit braces to avoid ambiguous 'else' [-Wdangling-else] 306 | else if (vs[0][0] == '1') | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp: In member function 'void OpenBabel::NWChemOutputFormat::ReadPartialCharges(std::istream*, OpenBabel::OBMol*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp:423:56: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 423 | if (molecule->GetAtom(i++)->GetAtomicNum() != charge) | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp: In member function 'void OpenBabel::NWChemOutputFormat::ReadMEPCalculation(std::istream*, OpenBabel::OBMol*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp:571:25: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 571 | if (energies.size() != molecule->NumConformers()) | ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp: In member function 'void OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::istream*, OpenBabel::OBMol*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp:932:34: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 932 | if (atoi(buffer) != natoms) | ~~~~~~~~~~~~~^~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pqrformat.cpp: In member function 'OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pqrformat.cpp:511:58: warning: '__snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=] 511 | snprintf(type_name, sizeof(type_name), " %-3s", tmp); | ^ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pqrformat.cpp:16: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 5 and 11 bytes into a destination of size 10 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pqrformat.cpp:528:66: warning: '%-3s' directive output may be truncated writing between 3 and 15 bytes into a region of size 9 [-Wformat-truncation=] 528 | snprintf(padded_name, sizeof(padded_name), " %-3s", tmp); | ^~~~ ~~~ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pqrformat.cpp:16: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 5 and 17 bytes into a destination of size 10 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 41%] Linking CXX shared module ../../lib64/stlformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/stlformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/stlformat.so CMakeFiles/stlformat.dir/stlformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp: At global scope: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp:111:20: warning: 'OpenBabel::BETA_ORBITAL_PATTERN' defined but not used [-Wunused-variable] 111 | static const char* BETA_ORBITAL_PATTERN = "Beta"; | ^~~~~~~~~~~~~~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 41%] Built target stlformat /usr/bin/gmake -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/povrayformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/povrayformat.dir/depend.internal". Scanning dependencies of target povrayformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 42%] Building CXX object src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpovrayformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/povrayformat.dir/povrayformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/povrayformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/povrayformat.cpp: In member function 'void OpenBabel::PovrayFormat::OutputHeader(std::ostream&, OpenBabel::OBMol&, std::string)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/povrayformat.cpp:173:12: warning: variable 'time_res' set but not used [-Wunused-but-set-variable] 173 | size_t time_res; /* Result of strftime */ | ^~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/povrayformat.cpp: In member function 'virtual bool OpenBabel::PovrayFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/povrayformat.cpp:807:17: warning: unused variable 'title' [-Wunused-variable] 807 | const char* title = pmol->GetTitle(); | ^~~~~ [ 42%] Linking CXX shared module ../../lib64/pqrformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pqrformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/pqrformat.so CMakeFiles/pqrformat.dir/pqrformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp: In member function 'OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::basic_istream >*, OpenBabel::OBMol*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp:957:21: warning: 'nbeads' may be used uninitialized in this function [-Wmaybe-uninitialized] 957 | if (bead_number != nbeads) | ^~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 42%] Built target adfformat /usr/bin/gmake -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/inchiformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/inchiformat.dir/depend.internal". Scanning dependencies of target inchiformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 42%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/inchiformat.dir/inchiformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/inchiformat.cpp In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp:18: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp: In member function 'OpenBabel::NWChemOutputFormat::ReadSinglePointCalculation(std::basic_istream >*, OpenBabel::OBMol*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/mol.h:348:47: warning: 'energy' may be used uninitialized in this function [-Wmaybe-uninitialized] 348 | void SetEnergy(double energy) { _energy = energy; } | ~~~~~~~~^~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/nwchemformat.cpp:750:12: note: 'energy' was declared here 750 | double energy; | ^~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 42%] Built target pqrformat /usr/bin/gmake -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/aoforceformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/aoforceformat.dir/depend.internal". Scanning dependencies of target aoforceformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 42%] Building CXX object src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Daoforceformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/aoforceformat.cpp In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/inchiformat.cpp:32: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h: In member function 'bool OpenBabel::InChIFormat::InchiLess::operator()(const string&, const string&) const': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h:149:13: warning: this 'while' clause does not guard... [-Wmisleading-indentation] 149 | while(p1!=s1.end() && isdigit(*p1++)); --p1; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while' 149 | while(p1!=s1.end() && isdigit(*p1++)); --p1; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h:154:13: warning: this 'while' clause does not guard... [-Wmisleading-indentation] 154 | while(p2!=s2.end() && isdigit(*p2++)); --p2; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while' 154 | while(p2!=s2.end() && isdigit(*p2++)); --p2; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/inchiformat.cpp: In member function 'virtual bool OpenBabel::InChIFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/inchiformat.cpp:193:52: warning: comparison of integer expressions of different signedness: 'long unsigned int' and 'AT_NUM' {aka 'short int'} [-Wsign-compare] 193 | if ( !(a->GetId() == ct->end || a->GetId() == stereo.neighbor[0] ) ) { | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/inchiformat.cpp:199:54: warning: comparison of integer expressions of different signedness: 'long unsigned int' and 'AT_NUM' {aka 'short int'} [-Wsign-compare] 199 | if ( !(b->GetId() == ct->begin || b->GetId() == stereo.neighbor[3] ) ) { | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ [ 42%] Linking CXX shared module ../../lib64/povrayformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/povrayformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/povrayformat.so CMakeFiles/povrayformat.dir/povrayformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 42%] Linking CXX shared module ../../lib64/nwchemformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nwchemformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/nwchemformat.so CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 42%] Built target povrayformat /usr/bin/gmake -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/MNAformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/MNAformat.dir/depend.internal". Scanning dependencies of target MNAformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 42%] Building CXX object src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMNAformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/MNAformat.dir/MNAformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/MNAformat.cpp [ 42%] Linking CXX shared module ../../lib64/aoforceformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/aoforceformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/aoforceformat.so CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 42%] Built target aoforceformat /usr/bin/gmake -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/boxformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/boxformat.dir/depend.internal". Scanning dependencies of target boxformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 42%] Building CXX object src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dboxformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/boxformat.dir/boxformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/boxformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 42%] Built target nwchemformat /usr/bin/gmake -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/asciiformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/asciiformat.dir/depend.internal". Scanning dependencies of target asciiformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 43%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dasciiformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/asciiformat.dir/asciiformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/asciiformat.cpp [ 44%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/inchiformat.dir/getinchi.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/getinchi.cpp [ 44%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/unique.cpp [ 44%] Linking CXX shared module ../../lib64/MNAformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MNAformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/MNAformat.so CMakeFiles/MNAformat.dir/MNAformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 44%] Linking CXX shared module ../../lib64/boxformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/boxformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/boxformat.so CMakeFiles/boxformat.dir/boxformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/ops/unique.cpp:23: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h: In member function 'bool OpenBabel::InChIFormat::InchiLess::operator()(const string&, const string&) const': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h:149:13: warning: this 'while' clause does not guard... [-Wmisleading-indentation] 149 | while(p1!=s1.end() && isdigit(*p1++)); --p1; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while' 149 | while(p1!=s1.end() && isdigit(*p1++)); --p1; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h:154:13: warning: this 'while' clause does not guard... [-Wmisleading-indentation] 154 | while(p2!=s2.end() && isdigit(*p2++)); --p2; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'while' 154 | while(p2!=s2.end() && isdigit(*p2++)); --p2; | ^~ [ 44%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dasciiformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/asciipainter.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 44%] Built target boxformat /usr/bin/gmake -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pngformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pngformat.dir/depend.internal". Scanning dependencies of target pngformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 44%] Building CXX object src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpngformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/pngformat.dir/pngformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pngformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/asciipainter.cpp: In member function 'virtual void OpenBabel::ASCIIPainter::DrawText(double, double, const string&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/asciipainter.cpp:118:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::__cxx11::basic_string::size_type' {aka 'long unsigned int'} [-Wsign-compare] 118 | for (int i=0; i impval) { | ~~~~^~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdlformat.cpp: In member function 'bool OpenBabel::MDLFormat::ReadAtomBlock(std::istream&, OpenBabel::OBMol&, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdlformat.cpp:1488:10: warning: unused variable 'chiralWatch' [-Wunused-variable] 1488 | bool chiralWatch=false; | ^~~~~~~~~~~ [ 45%] Linking CXX shared module ../../lib64/pngformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pngformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/pngformat.so CMakeFiles/pngformat.dir/pngformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 45%] Built target asciiformat /usr/bin/gmake -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/PQSformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/PQSformat.dir/depend.internal". Scanning dependencies of target PQSformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 45%] Building CXX object src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DPQSformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/PQSformat.dir/PQSformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/PQSformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 45%] Built target pngformat /usr/bin/gmake -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gamessformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gamessformat.dir/depend.internal". Scanning dependencies of target gamessformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 45%] Building CXX object src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgamessformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/gamessformat.dir/gamessformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/PQSformat.cpp: In member function 'OpenBabel::PQSFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/PQSformat.cpp:263:49: warning: 'pFormat' may be used uninitialized in this function [-Wmaybe-uninitialized] 263 | return pFormat->ReadMolecule(&mol,&coordconv); | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessformat.cpp: In member function 'virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessformat.cpp:587:38: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 587 | for (unsigned int i=0; i < modeCount; ++i) { | ~~^~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessformat.cpp:233:9: warning: variable 'ndummyatoms' set but not used [-Wunused-but-set-variable] 233 | int ndummyatoms = 0; | ^~~~~~~~~~~ [ 46%] Linking CXX shared module ../../lib64/PQSformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/PQSformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/PQSformat.so CMakeFiles/PQSformat.dir/PQSformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 46%] Built target inchiformat /usr/bin/gmake -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/turbomoleformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/turbomoleformat.dir/depend.internal". Scanning dependencies of target turbomoleformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 46%] Building CXX object src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dturbomoleformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/turbomoleformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdlformat.cpp: In member function 'OpenBabel::MDLFormat::GetTimeDate[abi:cxx11]()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdlformat.cpp:1709:27: warning: '%02d' directive output may be truncated writing between 2 and 11 bytes into a region of size between 0 and 9 [-Wformat-truncation=] 1709 | snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday, | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdlformat.cpp:1709:22: note: directive argument in the range [-2147483648, 2147483547] 1709 | snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday, | ^~~~~~~~~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/iomanip:40, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdlformat.cpp:27: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 11 and 56 bytes into a destination of size 11 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 46%] Built target PQSformat /usr/bin/gmake -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/thermoformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/thermoformat.dir/depend.internal". Scanning dependencies of target thermoformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 46%] Building CXX object src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dthermoformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/thermoformat.dir/thermoformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/thermoformat.cpp [ 46%] Linking CXX shared module ../../lib64/turbomoleformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/turbomoleformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/turbomoleformat.so CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdlformat.cpp: In member function 'OpenBabel::MDLFormat::CisTransFromUpDown(OpenBabel::OBMol*, std::map, std::allocator > >*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdlformat.cpp:2028:58: warning: 'a2_stereo' may be used uninitialized in this function [-Wmaybe-uninitialized] 2028 | if (a1_stereo == OBStereo::UnknownDir || a2_stereo == OBStereo::UnknownDir) | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mdlformat.cpp:2028:21: warning: 'a1_stereo' may be used uninitialized in this function [-Wmaybe-uninitialized] 2028 | if (a1_stereo == OBStereo::UnknownDir || a2_stereo == OBStereo::UnknownDir) | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 46%] Built target turbomoleformat /usr/bin/gmake -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/svgformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/svgformat.dir/depend.internal". Scanning dependencies of target svgformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 46%] Building CXX object src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsvgformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/svgformat.dir/svgformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/svgformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/svgformat.cpp: In member function 'virtual bool OpenBabel::SVGFormat::WriteChemObject(OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/svgformat.cpp:226:42: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 226 | bool nomore = _nmax && (_objects.size()==_nmax); | ~~~~~~~~~~~~~~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/svgformat.cpp:248:18: warning: unused variable 'n' [-Wunused-variable] 248 | unsigned int n=0; | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/svgformat.cpp: In member function 'virtual bool OpenBabel::SVGFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/svgformat.cpp:273:8: warning: unused variable 'ret' [-Wunused-variable] 273 | bool ret = WriteSVG(pConv,_objects); | ^~~ [ 46%] Linking CXX shared module ../../lib64/thermoformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/thermoformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/thermoformat.so CMakeFiles/thermoformat.dir/thermoformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessformat.cpp:533:58: warning: 'lowFreqModesEnd' may be used uninitialized in this function [-Wmaybe-uninitialized] 533 | if (numIntens < lowFreqModesBegin || numIntens > lowFreqModesEnd) | ~~~~~~~~~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessformat.cpp:533:25: warning: 'lowFreqModesBegin' may be used uninitialized in this function [-Wmaybe-uninitialized] 533 | if (numIntens < lowFreqModesBegin || numIntens > lowFreqModesEnd) | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 46%] Built target thermoformat /usr/bin/gmake -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/painterformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/painterformat.dir/depend.internal". Scanning dependencies of target painterformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 47%] Building CXX object src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpainterformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/painterformat.dir/painterformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/painterformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/painterformat.cpp: In member function 'virtual bool OpenBabel::PainterFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/painterformat.cpp:114:12: warning: unused variable 'ofs' [-Wunused-variable] 114 | ostream& ofs = *pConv->GetOutStream(); | ^~~ [ 47%] Linking CXX shared module ../../lib64/svgformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/svgformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/svgformat.so CMakeFiles/svgformat.dir/svgformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 47%] Building CXX object src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpainterformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/commandpainter.cpp [ 47%] Linking CXX shared module ../../lib64/mdlformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/mdlformat.so CMakeFiles/mdlformat.dir/mdlformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 48%] Linking CXX shared module ../../lib64/gamessformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/gamessformat.so CMakeFiles/gamessformat.dir/gamessformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 48%] Linking CXX shared module ../../lib64/painterformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/painterformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/painterformat.so CMakeFiles/painterformat.dir/painterformat.cpp.o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 48%] Built target svgformat /usr/bin/gmake -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/daltonformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/daltonformat.dir/depend.internal". Scanning dependencies of target daltonformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 48%] Building CXX object src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddaltonformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/daltonformat.dir/daltonformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/daltonformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 48%] Built target painterformat /usr/bin/gmake -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemkinformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemkinformat.dir/depend.internal". Scanning dependencies of target chemkinformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 48%] Building CXX object src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemkinformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemkinformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/daltonformat.cpp: In member function 'virtual bool OpenBabel::DALTONInputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/daltonformat.cpp:148:9: warning: variable 'atomcount' set but not used [-Wunused-but-set-variable] 148 | int atomcount = 0; // for each atom type | ^~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/daltonformat.cpp: In member function 'virtual bool OpenBabel::DALTONInputFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/daltonformat.cpp:312:31: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 312 | if(atom->GetAtomicNum() != atomtype) | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/daltonformat.cpp:332:31: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 332 | if(atom->GetAtomicNum() != atomtype) | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemkinformat.cpp: In member function 'bool OpenBabel::ChemKinFormat::ReadReactionQualifierLines(std::istream&, OpenBabel::OBReaction*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemkinformat.cpp:640:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 640 | for(int i=0;iReactionType) | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemkinformat.cpp:911:11: warning: enumeration value 'THREEBODY' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemkinformat.cpp:990:11: warning: enumeration value 'ARRHENIUS' not handled in switch [-Wswitch] 990 | switch(pRD->ReactionType) | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemkinformat.cpp:990:11: warning: enumeration value 'SRI' not handled in switch [-Wswitch] [ 48%] Linking CXX shared module ../../lib64/daltonformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/daltonformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/daltonformat.so CMakeFiles/daltonformat.dir/daltonformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 48%] Built target daltonformat /usr/bin/gmake -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xmlformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xmlformat.dir/depend.internal". Scanning dependencies of target xmlformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 49%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/xmlformat.cpp [ 49%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/xmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/xml.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 49%] Built target gamessformat /usr/bin/gmake -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/abinitformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/abinitformat.dir/depend.internal". Scanning dependencies of target abinitformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 49%] Building CXX object src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dabinitformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/abinitformat.dir/abinitformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/abinitformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/abinitformat.cpp: In member function 'virtual bool OpenBabel::ABINITFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/abinitformat.cpp:99:12: warning: variable 'acell' set but not used [-Wunused-but-set-variable] 99 | double acell[3]; // scale of lattice vectors | ^~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 49%] Built target mdlformat /usr/bin/gmake -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/tinkerformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/tinkerformat.dir/depend.internal". Scanning dependencies of target tinkerformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 49%] Building CXX object src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtinkerformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/tinkerformat.cpp [ 49%] Linking CXX shared module ../../lib64/xmlformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xmlformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/xmlformat.so CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o CMakeFiles/xmlformat.dir/xml/xml.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/tinkerformat.cpp: In function 'int OpenBabel::SetMM3Type(OpenBabel::OBAtom*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/tinkerformat.cpp:415:11: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 415 | if (b->GetHyb() == 2) // S=C | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/tinkerformat.cpp:416:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 416 | countNeighborC++; break; | ^~~~~ [ 49%] Linking CXX shared module ../../lib64/abinitformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/abinitformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/abinitformat.so CMakeFiles/abinitformat.dir/abinitformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 49%] Built target xmlformat /usr/bin/gmake -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/APIInterface.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/APIInterface.dir/depend.internal". Scanning dependencies of target APIInterface gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 49%] Building CXX object src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DAPIInterface_EXPORTS -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/APIInterface.dir/APIInterface.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/APIInterface.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 49%] Built target abinitformat /usr/bin/gmake -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fchkformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fchkformat.dir/depend.internal". Scanning dependencies of target fchkformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 50%] Building CXX object src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfchkformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/fchkformat.dir/fchkformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fchkformat.cpp [ 51%] Linking CXX shared module ../../lib64/chemkinformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemkinformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/chemkinformat.so CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 51%] Linking CXX shared module ../../lib64/APIInterface.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/APIInterface.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/APIInterface.so CMakeFiles/APIInterface.dir/APIInterface.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 51%] Linking CXX shared module ../../lib64/tinkerformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/tinkerformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/tinkerformat.so CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 51%] Built target APIInterface /usr/bin/gmake -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pubchem.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pubchem.dir/depend.internal". Scanning dependencies of target pubchem gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 51%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchem_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/pubchem.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fchkformat.cpp: In member function 'virtual bool OpenBabel::FCHKFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fchkformat.cpp:596:40: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 596 | if (alphaorb_found && (numAOrb > alphaorb.size())) | ~~~~~~~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fchkformat.cpp:609:40: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 609 | if (betaorb_found && (numBOrb > betaorb.size())) | ~~~~~~~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fchkformat.cpp:700:40: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 700 | if (numAOrb > 0 && alphaorb.size() == numAOrb) { | ~~~~~~~~~~~~~~~~^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fchkformat.cpp:704:41: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 704 | if (numBOrb > 0 && betaorb.size() == numBOrb) { // open shell calculation | ~~~~~~~~~~~~~~~^~~~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 51%] Built target tinkerformat /usr/bin/gmake -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/carformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/carformat.dir/depend.internal". Scanning dependencies of target carformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 51%] Building CXX object src/formats/CMakeFiles/carformat.dir/carformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcarformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/carformat.dir/carformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/carformat.cpp [ 52%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchem_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/pubchem.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/xml.cpp [ 52%] Linking CXX shared module ../../lib64/carformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/carformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/carformat.so CMakeFiles/carformat.dir/carformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 52%] Built target carformat /usr/bin/gmake -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pdbformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pdbformat.dir/depend.internal". Scanning dependencies of target pdbformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 53%] Building CXX object src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpdbformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/pdbformat.dir/pdbformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbformat.cpp [ 53%] Linking CXX shared module ../../lib64/pubchem.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchem.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/pubchem.so CMakeFiles/pubchem.dir/xml/pubchem.cpp.o CMakeFiles/pubchem.dir/xml/xml.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 53%] Built target chemkinformat /usr/bin/gmake -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cccformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cccformat.dir/depend.internal". Scanning dependencies of target cccformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 53%] Building CXX object src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcccformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/cccformat.dir/cccformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cccformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbformat.cpp: In member function 'virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbformat.cpp:615:26: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'const int' [-Wsign-compare] 615 | if (origin == pUC->GetSpaceGroup()->HEXAGONAL_ORIGIN) | ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 53%] Linking CXX shared module ../../lib64/fchkformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fchkformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/fchkformat.so CMakeFiles/fchkformat.dir/fchkformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 53%] Built target pubchem /usr/bin/gmake -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gamessukformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gamessukformat.dir/depend.internal". Scanning dependencies of target gamessukformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 53%] Building CXX object src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgamessukformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessukformat.cpp [ 53%] Linking CXX shared module ../../lib64/cccformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cccformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/cccformat.so CMakeFiles/cccformat.dir/cccformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 53%] Built target cccformat /usr/bin/gmake -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pcmodelformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pcmodelformat.dir/depend.internal". Scanning dependencies of target pcmodelformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 53%] Building CXX object src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpcmodelformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pcmodelformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessukformat.cpp: In member function 'bool OpenBabel::GAMESSUKOutputFormat::ReadInitialCartesian(OpenBabel::OBMol&, std::istream&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessukformat.cpp:787:10: warning: variable 'ok' set but not used [-Wunused-but-set-variable] 787 | bool ok=false; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessukformat.cpp: In member function 'bool OpenBabel::GAMESSUKOutputFormat::ReadOptGeomXyz1(OpenBabel::OBMol&, std::istream&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessukformat.cpp:853:12: warning: variable 'ok' set but not used [-Wunused-but-set-variable] 853 | bool ok=false; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessukformat.cpp: In member function 'bool OpenBabel::GAMESSUKOutputFormat::ReadOptGeomXyz2(OpenBabel::OBMol&, std::istream&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessukformat.cpp:900:12: warning: variable 'ok' set but not used [-Wunused-but-set-variable] 900 | bool ok=false; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessukformat.cpp: In member function 'virtual bool OpenBabel::GAMESSUKOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gamessukformat.cpp:1215:12: warning: variable 'ok' set but not used [-Wunused-but-set-variable] 1215 | bool ok; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbformat.cpp:684:58: warning: '__snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=] 684 | snprintf(type_name, sizeof(type_name), " %-3s", tmp); | ^ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbformat.cpp:17: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 5 and 11 bytes into a destination of size 10 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbformat.cpp:702:70: warning: '__snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=] 702 | snprintf(padded_name, sizeof(padded_name), " %-3s", tmp); | ^ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbformat.cpp:17: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 5 and 11 bytes into a destination of size 10 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbformat.cpp:739:35: warning: '%+d' directive output may be truncated writing between 2 and 6 bytes into a region of size 3 [-Wformat-truncation=] 739 | snprintf(scharge, 3, "%+d", charge); | ^~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbformat.cpp:739:34: note: directive argument in the range [-32768, 32767] 739 | snprintf(scharge, 3, "%+d", charge); | ^~~~~ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbformat.cpp:17: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 3 and 7 bytes into a destination of size 3 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 53%] Built target fchkformat /usr/bin/gmake -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/copyformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/copyformat.dir/depend.internal". Scanning dependencies of target copyformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 54%] Building CXX object src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcopyformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/copyformat.dir/copyformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/copyformat.cpp [ 54%] Linking CXX shared module ../../lib64/pcmodelformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pcmodelformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/pcmodelformat.so CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 54%] Linking CXX shared module ../../lib64/copyformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/copyformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/copyformat.so CMakeFiles/copyformat.dir/copyformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 54%] Linking CXX shared module ../../lib64/pdbformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/pdbformat.so CMakeFiles/pdbformat.dir/pdbformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 54%] Built target pcmodelformat /usr/bin/gmake -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake --color= gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawct.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawct.dir/depend.internal". Scanning dependencies of target chemdrawct gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build [ 54%] Built target copyformat /usr/bin/gmake -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake --color= [ 54%] Building CXX object src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdrawct_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemdrawct.cpp Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemtoolformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemtoolformat.dir/depend.internal". Scanning dependencies of target chemtoolformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 54%] Building CXX object src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemtoolformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemtoolformat.cpp [ 54%] Linking CXX shared module ../../lib64/chemtoolformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemtoolformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/chemtoolformat.so CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 54%] Linking CXX shared module ../../lib64/chemdrawct.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawct.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/chemdrawct.so CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 54%] Built target chemtoolformat /usr/bin/gmake -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fhiaimsformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fhiaimsformat.dir/depend.internal". Scanning dependencies of target fhiaimsformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 54%] Building CXX object src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfhiaimsformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fhiaimsformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 54%] Built target chemdrawct /usr/bin/gmake -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cifformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cifformat.dir/depend.internal". Scanning dependencies of target cifformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 54%] Building CXX object src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcifformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/cifformat.dir/cifformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cifformat.cpp [ 54%] Linking CXX shared module ../../lib64/gamessukformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessukformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/gamessukformat.so CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 54%] Built target pdbformat /usr/bin/gmake -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gaussformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gaussformat.dir/depend.internal". Scanning dependencies of target gaussformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 55%] Building CXX object src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgaussformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/gaussformat.dir/gaussformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gaussformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cifformat.cpp: In member function 'void OpenBabel::CIFData::CalcMatrices()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cifformat.cpp:915:11: warning: variable 'aa' set but not used [-Wunused-but-set-variable] 915 | float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cifformat.cpp:915:14: warning: variable 'bb' set but not used [-Wunused-but-set-variable] 915 | float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cifformat.cpp:915:27: warning: variable 'betaa' set but not used [-Wunused-but-set-variable] 915 | float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cifformat.cpp:915:33: warning: variable 'gammaa' set but not used [-Wunused-but-set-variable] 915 | float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cifformat.cpp: In member function 'virtual bool OpenBabel::CIFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cifformat.cpp:1693:15: warning: label 'std' defined but not used [-Wunused-label] 1693 | std:vector uc; | ^~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gaussformat.cpp: In function 'void OpenBabel::add_unique_pairdata_to_mol(OpenBabel::OBMol*, std::string, std::string, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gaussformat.cpp:284:19: warning: comparison of integer expressions of different signedness: 'std::vector >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 284 | if (vs.size() >= start) | ~~~~~~~~~~^~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gaussformat.cpp:287:26: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 287 | for(i=start+1; (i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 2200 | if (idx-1 < _hcount.size() && _hcount[idx-1] > 0) | ~~~~~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp: In member function 'bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector&, std::vector&, std::string&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp:2685:10: warning: variable 'symbol' set but not used [-Wunused-but-set-variable] 2685 | char symbol[10]; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp:2689:10: warning: unused variable 'normalValence' [-Wunused-variable] 2689 | bool normalValence = true; | ^~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp:2690:10: warning: unused variable 'writeExplicitHydrogen' [-Wunused-variable] 2690 | bool writeExplicitHydrogen = false; | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp: In member function 'bool OpenBabel::OBMol2Cansmi::BuildCanonTree(OpenBabel::OBMol&, OpenBabel::OBBitVec&, std::vector&, OpenBabel::OBCanSmiNode*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp:3139:22: warning: unused variable 'bond_order' [-Wunused-variable] 3139 | unsigned int bond_order = bond->GetBondOrder(); | ^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp:3134:20: warning: unused variable 'nbr_bond_order' [-Wunused-variable] 3134 | unsigned int nbr_bond_order = nbr_bond->GetBondOrder(); | ^~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp: In member function 'std::vector OpenBabel::OBMol2Cansmi::GetCanonClosureDigits(OpenBabel::OBAtom*, OpenBabel::OBBitVec&, std::vector&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp:3286:11: warning: unused variable 'bo' [-Wunused-variable] 3286 | int bo = (bond1->IsAromatic())? 1 : bond1->GetBondOrder(); // CJ: why was this line added? bo is never used? | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp: In member function 'void OpenBabel::OBMol2Cansmi::CreateFragCansmiString(OpenBabel::OBMol&, OpenBabel::OBBitVec&, std::string&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp:3899:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3899 | for (int i=0; i::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3905 | for (int i=0; i >&, std::vector >&, std::__cxx11::basic_string, std::allocator >&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp:2865:35: warning: '__snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=] 2865 | snprintf(tcount, 10, "%d", hcount); | ^ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp:23: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 2 and 11 bytes into a destination of size 10 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp:2857:35: warning: '__snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=] 2857 | snprintf(tcount, 10, "%d", i); | ^ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smilesformat.cpp:23: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 2 and 11 bytes into a destination of size 10 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 57%] Linking CXX shared module ../../lib64/exyzformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/exyzformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/exyzformat.so CMakeFiles/exyzformat.dir/exyzformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Built target exyzformat /usr/bin/gmake -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fastsearchformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fastsearchformat.dir/depend.internal". Scanning dependencies of target fastsearchformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Building CXX object src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfastsearchformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fastsearchformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Built target gaussformat /usr/bin/gmake -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fastaformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fastaformat.dir/depend.internal". Scanning dependencies of target fastaformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Building CXX object src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfastaformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/fastaformat.dir/fastaformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fastaformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fastsearchformat.cpp: In member function 'void OpenBabel::FastSearchFormat::AddPattern(std::vector&, OpenBabel::OBMol, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fastsearchformat.cpp:690:11: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 690 | if(idx>=patternMol.NumBonds()) | ~~~^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fastaformat.cpp: In function 'void OpenBabel::add_residue(OpenBabel::OBMol*, OpenBabel::OBResidue*, double, double, long unsigned int&, OpenBabel::ResidueRecord*, int, OpenBabel::OBAtom*&, bool, bool)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fastaformat.cpp:394:33: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 394 | else if (atom_count > resBondFromOffset) | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Built target cifformat /usr/bin/gmake -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gromos96format.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gromos96format.dir/depend.internal". Scanning dependencies of target gromos96format gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Linking CXX shared module ../../lib64/smilesformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smilesformat.dir/link.txt --verbose=1 [ 57%] Building CXX object src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgromos96format_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/gromos96format.dir/gromos96format.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gromos96format.cpp /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/smilesformat.so CMakeFiles/smilesformat.dir/smilesformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 57%] Linking CXX shared module ../../lib64/fastaformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastaformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/fastaformat.so CMakeFiles/fastaformat.dir/fastaformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread In file included from /usr/include/string.h:519, from /usr/include/c++/10/cstring:42, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/plugin.h:29, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/format.h:22, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:37, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gromos96format.cpp:54: In function 'strncpy', inlined from 'OpenBabel::GROMOS96Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)' at /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gromos96format.cpp:144:20: /usr/include/bits/string_fortified.h:106:34: warning: 'strncpy' specified bound 16 equals destination size [-Wstringop-truncation] 106 | return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest)); | ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In function 'strncpy', inlined from 'OpenBabel::GROMOS96Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)' at /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gromos96format.cpp:136:20: /usr/include/bits/string_fortified.h:106:34: warning: 'strncpy' specified bound 16 equals destination size [-Wstringop-truncation] 106 | return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest)); | ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In function 'strncpy', inlined from 'OpenBabel::GROMOS96Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)' at /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/gromos96format.cpp:138:20: /usr/include/bits/string_fortified.h:106:34: warning: 'strncpy' specified bound 16 equals destination size [-Wstringop-truncation] 106 | return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest)); | ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 57%] Linking CXX shared module ../../lib64/gromos96format.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gromos96format.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/gromos96format.so CMakeFiles/gromos96format.dir/gromos96format.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Built target fastaformat /usr/bin/gmake -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/featformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/featformat.dir/depend.internal". Scanning dependencies of target featformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Building CXX object src/formats/CMakeFiles/featformat.dir/featformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfeatformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/featformat.dir/featformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/featformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Built target gromos96format /usr/bin/gmake -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fingerprintformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fingerprintformat.dir/depend.internal". Scanning dependencies of target fingerprintformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Building CXX object src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfingerprintformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fingerprintformat.cpp [ 57%] Linking CXX shared module ../../lib64/fastsearchformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastsearchformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/fastsearchformat.so CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 57%] Linking CXX shared module ../../lib64/featformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/featformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/featformat.so CMakeFiles/featformat.dir/featformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Built target featformat /usr/bin/gmake -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/molreport.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/molreport.dir/depend.internal". Scanning dependencies of target molreport gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Building CXX object src/formats/CMakeFiles/molreport.dir/molreport.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmolreport_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/molreport.dir/molreport.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/molreport.cpp [ 57%] Linking CXX shared module ../../lib64/fingerprintformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fingerprintformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/fingerprintformat.so CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Built target fastsearchformat /usr/bin/gmake -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fhformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fhformat.dir/depend.internal". Scanning dependencies of target fhformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Building CXX object src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfhformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/fhformat.dir/fhformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fhformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Built target fingerprintformat /usr/bin/gmake -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend.internal". Scanning dependencies of target chemdoodlejsonformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Building CXX object src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdoodlejsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/json/chemdoodlejsonformat.cpp [ 57%] Linking CXX shared module ../../lib64/molreport.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molreport.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/molreport.so CMakeFiles/molreport.dir/molreport.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 57%] Built target molreport /usr/bin/gmake -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cacheformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cacheformat.dir/depend.internal". Scanning dependencies of target cacheformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 58%] Building CXX object src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcacheformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/cacheformat.dir/cacheformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cacheformat.cpp [ 59%] Linking CXX shared module ../../lib64/fhformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/fhformat.so CMakeFiles/fhformat.dir/fhformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/json/chemdoodlejsonformat.cpp: In member function 'virtual bool OpenBabel::ChemDoodleJSONFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/json/chemdoodlejsonformat.cpp:115:30: warning: comparison of integer expressions of different signedness: 'rapidjson::SizeType' {aka 'unsigned int'} and 'int' [-Wsign-compare] 115 | if (inRoot["m"].Size() > currentMolIndex) { | ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 59%] Built target fhformat /usr/bin/gmake -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fpsformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fpsformat.dir/depend.internal". Scanning dependencies of target fpsformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 60%] Building CXX object src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfpsformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/fpsformat.dir/fpsformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fpsformat.cpp [ 60%] Linking CXX shared module ../../lib64/cacheformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacheformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/cacheformat.so CMakeFiles/cacheformat.dir/cacheformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fpsformat.cpp: In member function 'virtual bool OpenBabel::FPSFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fpsformat.cpp:152:21: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 152 | for(unsigned i=0;i<(_nbits+31)/32;++i) | ~^~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fpsformat.cpp: In member function 'std::string OpenBabel::FPSFormat::getTimeStr()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/fpsformat.cpp:175:10: warning: variable 'time_res' set but not used [-Wunused-but-set-variable] 175 | size_t time_res; /* Result of strftime */ | ^~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 60%] Built target cacheformat /usr/bin/gmake -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/freefracformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/freefracformat.dir/depend.internal". Scanning dependencies of target freefracformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 60%] Building CXX object src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfreefracformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/freefracformat.dir/freefracformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/freefracformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 60%] Built target smilesformat /usr/bin/gmake -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/crystal09format.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/crystal09format.dir/depend.internal". Scanning dependencies of target crystal09format gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 60%] Building CXX object src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcrystal09format_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/crystal09format.dir/crystal09format.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/crystal09format.cpp [ 60%] Linking CXX shared module ../../lib64/fpsformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpsformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/fpsformat.so CMakeFiles/fpsformat.dir/fpsformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 60%] Built target fpsformat /usr/bin/gmake -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/groformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/groformat.dir/depend.internal". Scanning dependencies of target groformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 60%] Building CXX object src/formats/CMakeFiles/groformat.dir/groformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgroformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/groformat.dir/groformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/groformat.cpp [ 60%] Linking CXX shared module ../../lib64/freefracformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/freefracformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/freefracformat.so CMakeFiles/freefracformat.dir/freefracformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 60%] Built target freefracformat /usr/bin/gmake -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/smileyformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/smileyformat.dir/depend.internal". Scanning dependencies of target smileyformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 60%] Building CXX object src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsmileyformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/smileyformat.dir/smileyformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp: In member function 'void OpenBabel::OpenBabelCallback::setChiral(int, Smiley::Chirality, const std::vector&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'NotChiral' not handled in switch [-Wswitch] 158 | switch (chirality) { | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TH1' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TH2' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'AL1' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'AL2' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'SP1' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'SP2' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'SP3' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB1' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB2' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB3' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB4' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB5' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB6' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB7' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB8' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB9' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB10' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB11' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB12' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB13' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB14' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB15' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB16' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB17' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB18' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB19' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'TB20' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH1' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH2' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH3' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH4' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH5' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH6' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH7' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH8' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH9' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH10' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH11' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH12' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH13' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH14' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH15' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH16' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH17' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH18' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH19' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH20' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH21' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH22' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH23' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH24' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH25' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH26' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH27' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH28' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH29' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:158:14: warning: enumeration value 'OH30' not handled in switch [-Wswitch] [ 61%] Linking CXX shared module ../../lib64/crystal09format.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crystal09format.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/crystal09format.so CMakeFiles/crystal09format.dir/crystal09format.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:26: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smiley.h: In instantiation of 'void Smiley::Parser::processStereochemistry() [with Callback = OpenBabel::OpenBabelCallback]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smiley.h:2707:9: required from 'void Smiley::Parser::parse(const string&) [with Callback = OpenBabel::OpenBabelCallback; std::string = std::__cxx11::basic_string]' /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:370:26: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smiley.h:2642:43: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 2642 | if (m_chiralInfo[i].nbrs.size() != expectedValence && m_exceptions & InvalidChiralValence) | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smiley.h: In instantiation of 'Smiley::Parser::RingBondInfo::RingBondInfo(int, int, bool, bool, bool, std::size_t) [with Callback = OpenBabel::OpenBabelCallback; std::size_t = long unsigned int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smiley.h:2409:41: required from 'void Smiley::Parser::processRingBond(int, std::size_t) [with Callback = OpenBabel::OpenBabelCallback; std::size_t = long unsigned int]' /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smiley.h:2429:11: required from 'void Smiley::Parser::parseRingBond() [with Callback = OpenBabel::OpenBabelCallback]' /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smiley.h:2507:13: required from 'void Smiley::Parser::parseChain() [with Callback = OpenBabel::OpenBabelCallback]' /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smiley.h:2698:9: required from 'void Smiley::Parser::parse(const string&) [with Callback = OpenBabel::OpenBabelCallback; std::string = std::__cxx11::basic_string]' /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smileyformat.cpp:370:26: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smiley.h:986:14: warning: 'Smiley::Parser::RingBondInfo::isExplicit' will be initialized after [-Wreorder] 986 | bool isExplicit; | ^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smiley.h:981:21: warning: 'std::size_t Smiley::Parser::RingBondInfo::pos' [-Wreorder] 981 | std::size_t pos; | ^~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/smiley.h:974:9: warning: when initialized here [-Wreorder] 974 | RingBondInfo(int number_, int order_, bool isUp_, bool isDown_, | ^~~~~~~~~~~~ [ 61%] Linking CXX shared module ../../lib64/chemdoodlejsonformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdoodlejsonformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/chemdoodlejsonformat.so CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/groformat.cpp: In member function 'OpenBabel::GROFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/groformat.cpp:278:19: warning: 'res' may be used uninitialized in this function [-Wmaybe-uninitialized] 278 | res->AddAtom(atom); | ~~~~~~~~~~~~^~~~~~ [ 61%] Linking CXX shared module ../../lib64/groformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/groformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/groformat.so CMakeFiles/groformat.dir/groformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 61%] Built target crystal09format /usr/bin/gmake -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/vaspformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/vaspformat.dir/depend.internal". Scanning dependencies of target vaspformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 61%] Building CXX object src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dvaspformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/vaspformat.dir/vaspformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/vaspformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 61%] Built target groformat /usr/bin/gmake -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/ghemicalformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/ghemicalformat.dir/depend.internal". Scanning dependencies of target ghemicalformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 61%] Building CXX object src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dghemicalformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/ghemicalformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/vaspformat.cpp: In member function 'virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/vaspformat.cpp:451:17: warning: unused variable 'freqnum' [-Wunused-variable] 451 | int freqnum = atoi(vs[0].c_str()); | ^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/vaspformat.cpp: In member function 'virtual bool OpenBabel::VASPFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/vaspformat.cpp:668:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 668 | for(int i = 0; i < atoms_sorted.size(); i++) | ~~^~~~~~~~~~~~~~~~~~~~~ [ 62%] Linking CXX shared module ../../lib64/smileyformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smileyformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/smileyformat.so CMakeFiles/smileyformat.dir/smileyformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 63%] Linking CXX shared module ../../lib64/ghemicalformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/ghemicalformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/ghemicalformat.so CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 63%] Built target chemdoodlejsonformat /usr/bin/gmake -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/lmpdatformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/lmpdatformat.dir/depend.internal". Scanning dependencies of target lmpdatformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 64%] Building CXX object src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dlmpdatformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lmpdatformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/vaspformat.cpp: In member function 'OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/vaspformat.cpp:410:21: warning: 'fermi' may be used uninitialized in this function [-Wmaybe-uninitialized] 410 | dos->SetData(fermi, energies, densities, integration); | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 64%] Built target ghemicalformat /usr/bin/gmake -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cssrformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cssrformat.dir/depend.internal". Scanning dependencies of target cssrformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 64%] Building CXX object src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcssrformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/cssrformat.dir/cssrformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/cssrformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lmpdatformat.cpp: In member function 'virtual bool OpenBabel::LMPDATFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lmpdatformat.cpp:277:13: warning: unused variable 'length' [-Wunused-variable] 277 | double length=cmax-cmin; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lmpdatformat.cpp:367:11: warning: unused variable 'atomid' [-Wunused-variable] 367 | int atomid=5; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lmpdatformat.cpp:368:14: warning: unused variable 'charge' [-Wunused-variable] 368 | double charge=0.5; | ^~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 64%] Built target smileyformat /usr/bin/gmake -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/msmsformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/msmsformat.dir/depend.internal". Scanning dependencies of target msmsformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 64%] Building CXX object src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmsmsformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/msmsformat.dir/msmsformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/msmsformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lmpdatformat.cpp:534:38: warning: '%11s' directive output may be truncated writing between 11 and 32767 bytes into a region of size between 32695 and 32736 [-Wformat-truncation=] 534 | "%-4d %4d %4d %4d %4d %4d # %11s\n", | ^~~~ ...... 541 | DihedralString); | ~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lmpdatformat.cpp:15: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 45 and 32842 bytes into a destination of size 32768 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lmpdatformat.cpp:516:38: warning: '%11s' directive output may be truncated writing between 11 and 32767 bytes into a region of size between 32695 and 32736 [-Wformat-truncation=] 516 | "%-4d %4d %4d %4d %4d %4d # %11s\n", | ^~~~ ...... 523 | DihedralString); | ~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lmpdatformat.cpp:15: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 45 and 32842 bytes into a destination of size 32768 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lmpdatformat.cpp:474:33: warning: '%8s' directive output may be truncated writing between 8 and 32767 bytes into a region of size between 32707 and 32741 [-Wformat-truncation=] 474 | "%-4d %4d %4d %4d %4d # %8s\n", | ^~~ ...... 480 | AngleString); | ~~~~~~~~~~~ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lmpdatformat.cpp:15: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 37 and 32830 bytes into a destination of size 32768 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lmpdatformat.cpp:458:33: warning: '%8s' directive output may be truncated writing between 8 and 32767 bytes into a region of size between 32707 and 32741 [-Wformat-truncation=] 458 | "%-4d %4d %4d %4d %4d # %8s\n", | ^~~ ...... 464 | AngleString); | ~~~~~~~~~~~ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lmpdatformat.cpp:15: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 37 and 32830 bytes into a destination of size 32768 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 64%] Linking CXX shared module ../../lib64/cssrformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cssrformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/cssrformat.so CMakeFiles/cssrformat.dir/cssrformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 64%] Built target cssrformat /usr/bin/gmake -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/lpmdformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/lpmdformat.dir/depend.internal". Scanning dependencies of target lpmdformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 64%] Building CXX object src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dlpmdformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lpmdformat.cpp [ 64%] Linking CXX shared module ../../lib64/vaspformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/vaspformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/vaspformat.so CMakeFiles/vaspformat.dir/vaspformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 64%] Linking CXX shared module ../../lib64/msmsformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msmsformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/msmsformat.so CMakeFiles/msmsformat.dir/msmsformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 64%] Built target msmsformat /usr/bin/gmake -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mmcifformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mmcifformat.dir/depend.internal". Scanning dependencies of target mmcifformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 64%] Building CXX object src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmmcifformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mmcifformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lpmdformat.cpp: In member function 'virtual bool OpenBabel::LpmdFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lpmdformat.cpp:196:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 196 | if(int(headers.size()-1)!=tokens.size()) | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lpmdformat.cpp:210:19: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 210 | for(int i=1 ; i < headers.size() ; ++i) //the first element is HDR | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lpmdformat.cpp:243:11: warning: unused variable 'FX' [-Wunused-variable] 243 | double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lpmdformat.cpp:243:32: warning: unused variable 'FY' [-Wunused-variable] 243 | double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lpmdformat.cpp:243:53: warning: unused variable 'FZ' [-Wunused-variable] 243 | double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass; | ^~ [ 64%] Linking CXX shared module ../../lib64/lmpdatformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lmpdatformat.dir/link.txt --verbose=1 /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lpmdformat.cpp: In member function 'virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lpmdformat.cpp:366:18: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 366 | for(int i=0; i < mol.NumAtoms() ; ++i) | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/lpmdformat.cpp:382:15: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 382 | for(int i=0;i&, unsigned int, bool, bool)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbqtformat.cpp:581:20: warning: unused variable 'child' [-Wunused-variable] 581 | unsigned int child=i; | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbqtformat.cpp: In function 'bool OpenBabel::Separate_preserve_charges(OpenBabel::OBMol&, std::vector&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbqtformat.cpp:797:9: warning: unused variable 'fragments' [-Wunused-variable] 797 | int fragments = 0; | ^~~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 66%] Built target lpmdformat /usr/bin/gmake -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/msiformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/msiformat.dir/depend.internal". Scanning dependencies of target msiformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 66%] Building CXX object src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmsiformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/msiformat.dir/msiformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/msiformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbqtformat.cpp: At global scope: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbqtformat.cpp:750:16: warning: 'unsigned int OpenBabel::AtomsSoFar(const std::map&, unsigned int)' defined but not used [-Wunused-function] 750 | unsigned int AtomsSoFar(const map & tree, unsigned int depth) | ^~~~~~~~~~ [ 66%] Linking CXX shared module ../../lib64/siestaformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/siestaformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/siestaformat.so CMakeFiles/siestaformat.dir/siestaformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/msiformat.cpp: In member function 'virtual bool OpenBabel::MSIFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/msiformat.cpp:77:17: warning: unused variable 'title' [-Wunused-variable] 77 | const char* title = pConv->GetTitle(); | ^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbqtformat.cpp: In function 'OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream >&, unsigned int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbqtformat.cpp:345:52: warning: '__snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=] 345 | snprintf(type_name, sizeof(type_name), " %-3s", tmp); | ^ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbqtformat.cpp:24: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 5 and 11 bytes into a destination of size 10 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbqtformat.cpp:363:60: warning: '__snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=] 363 | snprintf(padded_name, sizeof(padded_name), " %-3s", tmp); | ^ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbqtformat.cpp:24: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 5 and 11 bytes into a destination of size 10 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/msiformat.cpp:19: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/generic.h:359:60: warning: 'sg' may be used uninitialized in this function [-Wmaybe-uninitialized] 359 | void SetSpaceGroup(const SpaceGroup* sg) { _spaceGroup = sg; } | ~~~~~~~~~~~~^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/msiformat.cpp:112:23: note: 'sg' was declared here 112 | const SpaceGroup *sg; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/msiformat.cpp:193:28: warning: 'atom' may be used uninitialized in this function [-Wmaybe-uninitialized] 193 | atom->SetVector(atof(vs[3].c_str()), | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ 194 | atof(vs[4].c_str()), | ~~~~~~~~~~~~~~~~~~~~ 195 | atof(vs[5].c_str())); | ~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/msiformat.cpp:239:24: warning: 'bondOrder' may be used uninitialized in this function [-Wmaybe-uninitialized] 239 | mol.AddBond(startBondAtom - 1, endBondAtom - 1, bondOrder); | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/msiformat.cpp:239:56: warning: 'endBondAtom' may be used uninitialized in this function [-Wmaybe-uninitialized] 239 | mol.AddBond(startBondAtom - 1, endBondAtom - 1, bondOrder); | ~~~~~~~~~~~~^~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/msiformat.cpp:239:39: warning: 'startBondAtom' may be used uninitialized in this function [-Wmaybe-uninitialized] 239 | mol.AddBond(startBondAtom - 1, endBondAtom - 1, bondOrder); | ~~~~~~~~~~~~~~^~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 66%] Built target siestaformat /usr/bin/gmake -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rinchiformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rinchiformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rinchiformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rinchiformat.dir/depend.internal". Scanning dependencies of target rinchiformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 67%] Building CXX object src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Drinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/rinchiformat.cpp [ 67%] Linking CXX shared module ../../lib64/msiformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msiformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/msiformat.so CMakeFiles/msiformat.dir/msiformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 67%] Built target mmcifformat /usr/bin/gmake -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mpdformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mpdformat.dir/depend.internal". Scanning dependencies of target mpdformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 67%] Building CXX object src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmpdformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/mpdformat.dir/mpdformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mpdformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 67%] Built target msiformat /usr/bin/gmake -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pointcloudformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pointcloudformat.dir/depend.internal". Scanning dependencies of target pointcloudformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 67%] Building CXX object src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpointcloudformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pointcloudformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mpdformat.cpp: In member function 'virtual bool OpenBabel::MPDFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/mpdformat.cpp:210:42: warning: variable 'idx_true' set but not used [-Wunused-but-set-variable] 210 | bool xml_true=false, pre_true=false, idx_true=false; | ^~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pointcloudformat.cpp: In member function 'virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pointcloudformat.cpp:226:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 226 | for( int j = 0; j < radius_mult_list.size(); j++ ) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~~ [ 67%] Linking CXX shared module ../../lib64/mpdformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpdformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/mpdformat.so CMakeFiles/mpdformat.dir/mpdformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread In file included from /usr/include/string.h:519, from /usr/include/c++/10/cstring:42, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/plugin.h:29, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/format.h:22, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:37, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbqtformat.cpp:24: In function 'strncpy', inlined from 'OpenBabel::PDBQTFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)' at /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/pdbqtformat.cpp:923:22: /usr/include/bits/string_fortified.h:106:34: warning: 'strncpy' specified bound 10 equals destination size [-Wstringop-truncation] 106 | return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest)); | ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 67%] Linking CXX shared module ../../lib64/rinchiformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rinchiformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/rinchiformat.so CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 67%] Linking CXX shared module ../../lib64/pointcloudformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pointcloudformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/pointcloudformat.so CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 67%] Built target mpdformat /usr/bin/gmake -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/shelxformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/shelxformat.dir/depend.internal". Scanning dependencies of target shelxformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 67%] Building CXX object src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dshelxformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/shelxformat.dir/shelxformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/shelxformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 67%] Built target pointcloudformat /usr/bin/gmake -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/unichemformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/unichemformat.dir/depend.internal". Scanning dependencies of target unichemformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 67%] Building CXX object src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dunichemformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/unichemformat.dir/unichemformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/unichemformat.cpp [ 67%] Linking CXX shared module ../../lib64/pdbqtformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbqtformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/pdbqtformat.so CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 67%] Built target rinchiformat /usr/bin/gmake -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/opendxformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/opendxformat.dir/depend.internal". Scanning dependencies of target opendxformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 67%] Building CXX object src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dopendxformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/opendxformat.dir/opendxformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/opendxformat.cpp [ 67%] Linking CXX shared module ../../lib64/shelxformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/shelxformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/shelxformat.so CMakeFiles/shelxformat.dir/shelxformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 68%] Linking CXX shared module ../../lib64/unichemformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/unichemformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/unichemformat.so CMakeFiles/unichemformat.dir/unichemformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 68%] Built target shelxformat /usr/bin/gmake -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/viewmolformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/viewmolformat.dir/depend.internal". Scanning dependencies of target viewmolformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 68%] Building CXX object src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o [ 68%] Built target unichemformat /usr/bin/gmake -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/depend cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dviewmolformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/viewmolformat.cpp gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/wlnformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/wlnformat.dir/depend.internal". Scanning dependencies of target wlnformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 69%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dwlnformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/wlnformat.dir/wlnformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/wlnformat.cpp [ 70%] Linking CXX shared module ../../lib64/opendxformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/opendxformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/opendxformat.so CMakeFiles/opendxformat.dir/opendxformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/wlnformat.cpp: In member function 'virtual bool OpenBabel::WLNFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/wlnformat.cpp:138:17: warning: unused variable 'title' [-Wunused-variable] 138 | const char* title = pConv->GetTitle(); | ^~~~~ [ 70%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dwlnformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/wln-nextmove.cpp [ 70%] Linking CXX shared module ../../lib64/viewmolformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/viewmolformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/viewmolformat.so CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 70%] Built target opendxformat /usr/bin/gmake -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xedformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xedformat.dir/depend.internal". Scanning dependencies of target xedformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 70%] Building CXX object src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxedformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/xedformat.dir/xedformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xedformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 70%] Built target viewmolformat /usr/bin/gmake -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/yasaraformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/yasaraformat.dir/depend.internal". Scanning dependencies of target yasaraformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 70%] Building CXX object src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dyasaraformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/yasaraformat.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 70%] Built target pdbqtformat /usr/bin/gmake -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/dmolformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/dmolformat.dir/depend.internal". Scanning dependencies of target dmolformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 70%] Building CXX object src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddmolformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/dmolformat.dir/dmolformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/dmolformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/yasaraformat.cpp: In member function 'virtual bool OpenBabel::YOBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/yasaraformat.cpp:373:21: warning: variable 'reslen' set but not used [-Wunused-but-set-variable] 373 | int /*samenames,*/reslen,charged; | ^~~~~~ [ 70%] Linking CXX shared module ../../lib64/xedformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xedformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/xedformat.so CMakeFiles/xedformat.dir/xedformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/yasaraformat.cpp: In member function 'OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/yasaraformat.cpp:571:36: warning: '__snprintf_chk' output truncated before the last format character [-Wformat-truncation=] 571 | snprintf(&buffer[12], 4, "%4d",res->GetNum()); } | ^ In file included from /usr/include/stdio.h:866, from /usr/include/c++/10/cstdio:42, from /usr/include/c++/10/ext/string_conversions.h:43, from /usr/include/c++/10/bits/basic_string.h:6545, from /usr/include/c++/10/string:55, from /usr/include/c++/10/bits/locale_classes.h:40, from /usr/include/c++/10/bits/ios_base.h:41, from /usr/include/c++/10/ios:42, from /usr/include/c++/10/ostream:38, from /usr/include/c++/10/iostream:39, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:24, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obmolecformat.h:36, from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/yasaraformat.cpp:34: /usr/include/bits/stdio2.h:70:35: note: '__snprintf_chk' output between 5 and 12 bytes into a destination of size 4 70 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 71 | __bos (__s), __fmt, __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/yasaraformat.cpp: In function 'OpenBabel::mob_getid(OpenBabel::atomid*, OpenBabel::mobatom*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/yasaraformat.cpp:244:26: warning: array subscript 4 is above array bounds of 'int32[4]' [-Warray-bounds] 244 | { inscodealtloc=int32le(atom->link[idpos++]); | ~~~~~~~^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/yasaraformat.cpp:192:9: note: while referencing 'link' 192 | int32 link[4]; }; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/yasaraformat.cpp:252:60: warning: array subscript 4 is above array bounds of 'int32[4]' [-Warray-bounds] 252 | if (flags&MOB_SEGMENTFLAG) id->segment=atom->link[idpos++]; | ~~~~~~~~~~~~~~~~~~^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/yasaraformat.cpp:192:9: note: while referencing 'link' 192 | int32 link[4]; }; | ^~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 70%] Built target xedformat /usr/bin/gmake -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rsmiformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rsmiformat.dir/depend.internal". Scanning dependencies of target rsmiformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 70%] Building CXX object src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Drsmiformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/rsmiformat.cpp [ 70%] Linking CXX shared module ../../lib64/yasaraformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/yasaraformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/yasaraformat.so CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 70%] Built target yasaraformat /usr/bin/gmake -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/png2format.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/png2format.dir/depend.internal". Scanning dependencies of target png2format gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 70%] Building CXX object src/formats/CMakeFiles/png2format.dir/png2format.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpng2format_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/png2format.dir/png2format.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/png2format.cpp [ 70%] Linking CXX shared module ../../lib64/dmolformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dmolformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/dmolformat.so CMakeFiles/dmolformat.dir/dmolformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 70%] Built target dmolformat /usr/bin/gmake -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cdxmlformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cdxmlformat.dir/depend.internal". Scanning dependencies of target cdxmlformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 70%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cdxmlformat.cpp [ 70%] Linking CXX shared module ../../lib64/wlnformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/wlnformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/wlnformat.so CMakeFiles/wlnformat.dir/wlnformat.cpp.o CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/png2format.cpp: In member function 'virtual bool OpenBabel::PNG2Format::WriteChemObject(OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/png2format.cpp:105:42: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 105 | bool nomore = _nmax && (_objects.size()==_nmax); | ~~~~~~~~~~~~~~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/png2format.cpp:135:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 135 | pConv->SetLast(n==_objects.size()); | ~^~~~~~~~~~~~~~~~~ [ 71%] Linking CXX shared module ../../lib64/rsmiformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rsmiformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/rsmiformat.so CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 71%] Building CXX object src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpng2format_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/depict/cairopainter.cpp [ 71%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/xml.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 71%] Built target rsmiformat /usr/bin/gmake -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cmlformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cmlformat.dir/depend.internal". Scanning dependencies of target cmlformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 72%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlformat.cpp [ 72%] Linking CXX shared module ../../lib64/png2format.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/png2format.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/png2format.so CMakeFiles/png2format.dir/png2format.cpp.o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 72%] Built target wlnformat /usr/bin/gmake -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cmlreactformat.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cmlreactformat.dir/depend.internal". Scanning dependencies of target cmlreactformat gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 72%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlreactformat.cpp [ 73%] Linking CXX shared module ../../lib64/cdxmlformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/cdxmlformat.so CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlformat.cpp: In member function 'bool OpenBabel::CMLFormat::DoHCounts()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlformat.cpp:967:25: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] 967 | if(it->second == atom->GetIdx()) | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlformat.cpp: In member function 'void OpenBabel::CMLFormat::WriteMetadataList(OpenBabel::OBMol&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlformat.cpp:1269:26: warning: unused variable 'C_TITLE' [-Wunused-variable] 1269 | static const xmlChar C_TITLE[] = "title"; | ^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlformat.cpp: In member function 'std::string OpenBabel::CMLFormat::getTimestr()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlformat.cpp:1319:12: warning: variable 'time_res' set but not used [-Wunused-but-set-variable] 1319 | size_t time_res; /* Result of strftime */ | ^~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlformat.cpp: In member function 'virtual bool OpenBabel::CMLFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlformat.cpp:1366:26: warning: unused variable 'C_DESCRIPTION' [-Wunused-variable] 1366 | static const xmlChar C_DESCRIPTION[] = "description"; | ^~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlformat.cpp: In member function 'bool OpenBabel::CMLFormat::WriteVibrationData(OpenBabel::OBMol&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlformat.cpp:2308:26: warning: unused variable 'C_SCALAR' [-Wunused-variable] 2308 | static const xmlChar C_SCALAR[] = "scalar"; | ^~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlreactformat.cpp: In member function 'virtual bool OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlreactformat.cpp:520:12: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 520 | for(i=0;iNumReactants();i++) | ~^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlreactformat.cpp:542:12: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 542 | for(i=0;iNumProducts();i++) | ~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlreactformat.cpp: In member function 'bool OpenBabel::CMLReactFormat::WriteRateData(OpenBabel::OBReaction*, xmlChar*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlreactformat.cpp:706:9: warning: enumeration value 'ARRHENIUS' not handled in switch [-Wswitch] 706 | switch(pRD->ReactionType) | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlreactformat.cpp:734:9: warning: enumeration value 'ARRHENIUS' not handled in switch [-Wswitch] 734 | switch(pRD->ReactionType) | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlreactformat.cpp:734:9: warning: enumeration value 'SRI' not handled in switch [-Wswitch] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlreactformat.cpp: In member function 'void OpenBabel::CMLReactFormat::WriteMetadataList(OpenBabel::OBReaction&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/cmlreactformat.cpp:773:26: warning: unused variable 'C_TITLE' [-Wunused-variable] 773 | static const xmlChar C_TITLE[] = "title"; | ^~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 73%] Built target png2format /usr/bin/gmake -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawcdx.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawcdx.dir/depend.internal". Scanning dependencies of target chemdrawcdx gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 74%] Building CXX object src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdrawcdx_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemdrawcdx.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemdrawcdx.cpp: In member function 'bool OpenBabel::ChemDrawBinaryXFormat::DoReaction(OpenBabel::CDXReader&, OpenBabel::OBMol*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemdrawcdx.cpp:338:25: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 338 | for(unsigned i=0;iNumAtoms();++idx) | ~~~^~~~~~~~~~~~~~~~~~ gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemdrawcdx.cpp: In member function 'bool OpenBabel::ChemDrawBinaryXFormat::DoFragmentImpl(OpenBabel::CDXReader&, OpenBabel::OBMol*, std::map&, std::map&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemdrawcdx.cpp:477:27: warning: variable 'hasElement' set but not used [-Wunused-but-set-variable] 477 | bool isAlias=false, hasElement=false; | ^~~~~~~~~~ [ 74%] Building CXX object src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchemjsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/json/pubchemjsonformat.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/json/pubchemjsonformat.cpp: In member function 'virtual bool OpenBabel::PubChemJSONFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/json/pubchemjsonformat.cpp:121:41: warning: comparison of integer expressions of different signedness: 'rapidjson::SizeType' {aka 'unsigned int'} and 'int' [-Wsign-compare] 121 | if (inRoot["PC_Compounds"].Size() > currentMolIndex) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/json/pubchemjsonformat.cpp:131:42: warning: comparison of integer expressions of different signedness: 'rapidjson::SizeType' {aka 'unsigned int'} and 'int' [-Wsign-compare] 131 | if (inRoot["PC_Substances"].Size() > currentMolIndex) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemdrawcdx.cpp:621:28: warning: 'endIdx' may be used uninitialized in this function [-Wmaybe-uninitialized] 621 | if(!order || !bgnIdx || !endIdx) | ~~~~~~~~~~~~~~~~~~^~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/chemdrawcdx.cpp:621:17: warning: 'bgnIdx' may be used uninitialized in this function [-Wmaybe-uninitialized] 621 | if(!order || !bgnIdx || !endIdx) | ~~~~~~~^~~~~~~~~~ [ 74%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/xml.cpp [ 74%] Linking CXX shared module ../../lib64/chemdrawcdx.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawcdx.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/chemdrawcdx.so CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 75%] Linking CXX shared module ../../lib64/cmlreactformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlreactformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/cmlreactformat.so CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 75%] Built target chemdrawcdx /usr/bin/gmake -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrms.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrms.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrms.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrms.dir/depend.internal". Scanning dependencies of target obrms gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 75%] Building CXX object tools/CMakeFiles/obrms.dir/obrms.cpp.o [ 75%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obrms.dir/obrms.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obrms.cpp cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/cmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/xml/xml.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obrms.cpp: In function 'int main(int, char**)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obrms.cpp:219:7: warning: unused variable 'help' [-Wunused-variable] 219 | bool help = false; | ^~~~ [ 75%] Linking CXX shared module ../../lib64/cmlformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/cmlformat.so CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o CMakeFiles/cmlformat.dir/xml/xml.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 75%] Built target cmlreactformat /usr/bin/gmake -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obspectrophore.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obspectrophore.dir/depend.internal". Scanning dependencies of target obspectrophore gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 75%] Building CXX object tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obspectrophore.cpp [ 75%] Linking CXX executable ../bin/obrms cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrms.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obrms.dir/obrms.cpp.o -o ../bin/obrms -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 75%] Linking CXX shared module ../../lib64/pubchemjsonformat.so cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchemjsonformat.dir/link.txt --verbose=1 /usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared -o ../../lib64/pubchemjsonformat.so CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 75%] Built target obrms /usr/bin/gmake -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obgrep.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obgrep.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obgrep.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obgrep.dir/depend.internal". Scanning dependencies of target obgrep gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 75%] Building CXX object tools/CMakeFiles/obgrep.dir/obgrep.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obgrep.dir/obgrep.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obgrep.cpp [ 75%] Linking CXX executable ../bin/obgrep cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgrep.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obgrep.dir/obgrep.cpp.o -o ../bin/obgrep -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 75%] Built target obgrep /usr/bin/gmake -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obthermo.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obthermo.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obthermo.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obthermo.dir/depend.internal". Scanning dependencies of target obthermo gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 75%] Building CXX object tools/CMakeFiles/obthermo.dir/obthermo.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obthermo.dir/obthermo.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obthermo.cpp [ 75%] Linking CXX executable ../bin/obspectrophore cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obspectrophore.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -o ../bin/obspectrophore -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obthermo.cpp: In function 'int main(int, char**)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obthermo.cpp:154:18: warning: unused variable 'Rgas' [-Wunused-variable] 154 | double Rgas = 1.9872041; // cal/mol K | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obthermo.cpp:41:10: warning: variable 'bKJ' set but not used [-Wunused-but-set-variable] 41 | bool bKJ = false; | ^~~ [ 76%] Linking CXX executable ../bin/obthermo cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obthermo.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obthermo.dir/obthermo.cpp.o -o ../bin/obthermo -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 76%] Built target obthermo /usr/bin/gmake -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obtautomer.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obtautomer.dir/depend.internal". Scanning dependencies of target obtautomer gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 76%] Building CXX object tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obtautomer.dir/obtautomer.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obtautomer.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 76%] Built target obspectrophore /usr/bin/gmake -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obabel.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obabel.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obabel.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obabel.dir/depend.internal". Scanning dependencies of target obabel gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 76%] Building CXX object tools/CMakeFiles/obabel.dir/obabel.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obabel.dir/obabel.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obabel.cpp [ 76%] Linking CXX executable ../bin/obtautomer cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obtautomer.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obtautomer.dir/obtautomer.cpp.o -o ../bin/obtautomer -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 76%] Built target obtautomer /usr/bin/gmake -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obminimize.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obminimize.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obminimize.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obminimize.dir/depend.internal". Scanning dependencies of target obminimize gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 76%] Building CXX object tools/CMakeFiles/obminimize.dir/obminimize.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obminimize.dir/obminimize.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obminimize.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 76%] Built target cmlformat /usr/bin/gmake -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obdistgen.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obdistgen.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obdistgen.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obdistgen.dir/depend.internal". Scanning dependencies of target obdistgen gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 76%] Building CXX object tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obdistgen.dir/obdistgen.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obdistgen.cpp [ 77%] Linking CXX executable ../bin/obabel cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obabel.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obabel.dir/obabel.cpp.o -o ../bin/obabel -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 77%] Built target pubchemjsonformat /usr/bin/gmake -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrotate.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrotate.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrotate.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrotate.dir/depend.internal". Scanning dependencies of target obrotate gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 77%] Building CXX object tools/CMakeFiles/obrotate.dir/obrotate.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obrotate.dir/obrotate.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obrotate.cpp [ 78%] Linking CXX executable ../bin/obminimize cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obminimize.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obminimize.dir/obminimize.cpp.o -o ../bin/obminimize -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 78%] Built target obabel /usr/bin/gmake -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obenergy.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obenergy.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obenergy.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obenergy.dir/depend.internal". Scanning dependencies of target obenergy gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 79%] Building CXX object tools/CMakeFiles/obenergy.dir/obenergy.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obenergy.dir/obenergy.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obenergy.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 79%] Built target obminimize /usr/bin/gmake -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obfit.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obfit.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obfit.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obfit.dir/depend.internal". Scanning dependencies of target obfit gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 79%] Building CXX object tools/CMakeFiles/obfit.dir/obfit.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obfit.dir/obfit.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obfit.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obdistgen.cpp: In function 'int main(int, char**)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obdistgen.cpp:108:34: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] 108 | for (unsigned int n = 0; n < mol.NumConformers();++n) | ~~^~~~~~~~~~~~~~~~~~~~~ [ 79%] Linking CXX executable ../bin/obdistgen cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obdistgen.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obdistgen.dir/obdistgen.cpp.o -o ../bin/obdistgen -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obrotate.cpp: In function 'main': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obrotate.cpp:181:23: warning: 'a4' may be used uninitialized in this function [-Wmaybe-uninitialized] 181 | mol.SetTorsion(a1, a2, a3, a4, angle * DEG_TO_RAD); | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obrotate.cpp:175:28: warning: 'a3' may be used uninitialized in this function [-Wmaybe-uninitialized] 175 | if ( !a2->IsConnected(a3) ) { | ~~~~~~~~~~~~~~~^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obrotate.cpp:175:28: warning: 'a2' may be used uninitialized in this function [-Wmaybe-uninitialized] /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obrotate.cpp:181:23: warning: 'a1' may be used uninitialized in this function [-Wmaybe-uninitialized] 181 | mol.SetTorsion(a1, a2, a3, a4, angle * DEG_TO_RAD); | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 79%] Linking CXX executable ../bin/obenergy cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obenergy.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obenergy.dir/obenergy.cpp.o -o ../bin/obenergy -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 79%] Linking CXX executable ../bin/obrotate cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotate.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obrotate.dir/obrotate.cpp.o -o ../bin/obrotate -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 79%] Built target obdistgen /usr/bin/gmake -f tools/CMakeFiles/obprobe.dir/build.make tools/CMakeFiles/obprobe.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obprobe.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obprobe.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obprobe.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obprobe.dir/depend.internal". Scanning dependencies of target obprobe gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obprobe.dir/build.make tools/CMakeFiles/obprobe.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 79%] Building CXX object tools/CMakeFiles/obprobe.dir/obprobe.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obprobe.dir/obprobe.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obprobe.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 79%] Built target obenergy /usr/bin/gmake -f tools/CMakeFiles/obmm.dir/build.make tools/CMakeFiles/obmm.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obmm.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obmm.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obmm.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obmm.dir/depend.internal". Scanning dependencies of target obmm gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obmm.dir/build.make tools/CMakeFiles/obmm.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 79%] Building CXX object tools/CMakeFiles/obmm.dir/obmm.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obmm.dir/obmm.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obmm.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 79%] Built target obrotate /usr/bin/gmake -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obgen.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obgen.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obgen.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obgen.dir/depend.internal". Scanning dependencies of target obgen gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 79%] Building CXX object tools/CMakeFiles/obgen.dir/obgen.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obgen.dir/obgen.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obgen.cpp [ 79%] Linking CXX executable ../bin/obfit cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obfit.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obfit.dir/obfit.cpp.o -o ../bin/obfit -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 79%] Built target obfit /usr/bin/gmake -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obprop.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obprop.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obprop.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obprop.dir/depend.internal". Scanning dependencies of target obprop gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 80%] Building CXX object tools/CMakeFiles/obprop.dir/obprop.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obprop.dir/obprop.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obprop.cpp [ 80%] Linking CXX executable ../bin/obgen cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgen.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obgen.dir/obgen.cpp.o -o ../bin/obgen -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 80%] Linking CXX executable ../bin/obprobe cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprobe.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obprobe.dir/obprobe.cpp.o -o ../bin/obprobe -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 80%] Linking CXX executable ../bin/obmm cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obmm.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obmm.dir/obmm.cpp.o -o ../bin/obmm -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 80%] Built target obgen /usr/bin/gmake -f tools/CMakeFiles/obfitall.dir/build.make tools/CMakeFiles/obfitall.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obfitall.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obfitall.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obfitall.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obfitall.dir/depend.internal". Scanning dependencies of target obfitall gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obfitall.dir/build.make tools/CMakeFiles/obfitall.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 80%] Building CXX object tools/CMakeFiles/obfitall.dir/obfitall.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obfitall.dir/obfitall.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obfitall.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 80%] Built target obprobe /usr/bin/gmake -f tools/CMakeFiles/obrotamer.dir/build.make tools/CMakeFiles/obrotamer.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrotamer.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrotamer.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrotamer.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrotamer.dir/depend.internal". Scanning dependencies of target obrotamer gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obrotamer.dir/build.make tools/CMakeFiles/obrotamer.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 80%] Building CXX object tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obrotamer.dir/obrotamer.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obrotamer.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 80%] Built target obmm /usr/bin/gmake -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obconformer.dir/DependInfo.cmake --color= /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obfitall.cpp: In function 'int main(int, char**)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obfitall.cpp:219:18: warning: unused variable 'best_rmsd' [-Wunused-variable] 219 | double best_rmsd = 999.999; | ^~~~~~~~~ Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obconformer.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obconformer.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obconformer.dir/depend.internal". Scanning dependencies of target obconformer gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 80%] Building CXX object tools/CMakeFiles/obconformer.dir/obconformer.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obconformer.dir/obconformer.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obconformer.cpp [ 80%] Linking CXX executable ../bin/obprop cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprop.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obprop.dir/obprop.cpp.o -o ../bin/obprop -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obrotamer.cpp:32: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/../src/rand.cpp:428:15: warning: 'void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)' defined but not used [-Wunused-function] 428 | static void GenerateSequence( unsigned int p, unsigned int m, | ^~~~~~~~~~~~~~~~ gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 80%] Built target obprop /usr/bin/gmake -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obsym.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obsym.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obsym.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools/CMakeFiles/obsym.dir/depend.internal". Scanning dependencies of target obsym gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 81%] Building CXX object tools/CMakeFiles/obsym.dir/obsym.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obsym.dir/obsym.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/tools/obsym.cpp [ 82%] Linking CXX executable ../bin/obfitall cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obfitall.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obfitall.dir/obfitall.cpp.o -o ../bin/obfitall -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 83%] Linking CXX executable ../bin/obrotamer cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotamer.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obrotamer.dir/obrotamer.cpp.o -o ../bin/obrotamer -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 83%] Linking CXX executable ../bin/obconformer cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obconformer.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obconformer.dir/obconformer.cpp.o -o ../bin/obconformer -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 83%] Linking CXX executable ../bin/obsym cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obsym.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/obsym.dir/obsym.cpp.o -o ../bin/obsym -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 83%] Built target obfitall /usr/bin/gmake -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/GUI /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/GUI/CMakeFiles/obgui.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/GUI/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/GUI/CMakeFiles/obgui.dir/depend.internal". Scanning dependencies of target obgui gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 84%] Building CXX object src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obgui.dir/OBGUI.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 84%] Built target obrotamer /usr/bin/gmake -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/roundtrip.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/roundtrip.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/roundtrip.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/roundtrip.dir/depend.internal". Scanning dependencies of target roundtrip gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 84%] Building CXX object test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/roundtrip.dir/roundtrip.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/roundtrip.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 84%] Built target obsym /usr/bin/gmake -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake --color= gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 84%] Built target obconformer /usr/bin/gmake -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/depend Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/test_inchiwrite.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/test_inchiwrite.dir/depend.internal". Scanning dependencies of target test_inchiwrite gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/test_runner.dir/DependInfo.cmake --color= gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 85%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/test_runner.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/test_runner.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/CMakeFiles/test_runner.dir/depend.internal". cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/inchiwrite.cpp Scanning dependencies of target test_runner gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 85%] Building CXX object test/CMakeFiles/test_runner.dir/test_runner.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/test_runner.dir/test_runner.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test/test_runner.cpp [ 85%] Building CXX object test/CMakeFiles/test_runner.dir/aligntest.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/test_runner.dir/aligntest.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/aligntest.cpp [ 85%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/formats/getinchi.cpp [ 85%] Linking CXX executable ../bin/roundtrip cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/roundtrip.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/roundtrip.dir/roundtrip.cpp.o -o ../bin/roundtrip -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64: ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread [ 85%] Linking CXX executable ../bin/test_inchiwrite cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_inchiwrite.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -o ../bin/test_inchiwrite -Wl,-rpath,/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64 ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz -pthread gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 85%] Built target roundtrip /usr/bin/gmake -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 85%] Generating ../../scripts/ruby/openbabel-ruby.cpp cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/scripts && /usr/bin/swig -ruby -c++ -small -O -templatereduce -naturalvar -autorename -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.txt /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/openbabel-ruby.i gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 85%] Built target test_inchiwrite /usr/bin/gmake -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 85%] Generating ../../scripts/perl/openbabel-perl.cpp cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/scripts && /usr/bin/swig -perl5 -c++ -small -O -templatereduce -naturalvar -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp -outdir /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/openbabel-perl.i /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored) /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include/openbabel/isomorphism.h:160: Warning 325: Nested class not currently supported (Functor ignored) In file included from /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp:26: /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/./selformats.h: In member function 'bool ActiveFormats::Add(wxString&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/./selformats.h:82:52: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 82 | return (ActiveFormatsString.find(format+_T(';')) != -1); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp: In member function 'virtual bool OBGUIApp::OnInit()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp:129:21: warning: unused variable 'splash' [-Wunused-variable] 129 | wxSplashScreen* splash = new wxSplashScreen(bitmap, | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp: In member function 'void OBGUIFrame::DisplayInputFiles(wxArrayString)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp:766:12: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 766 | for(i=0;iGetCount();iSel++) | ~~~~^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp: In member function 'wxString OBGUIFrame::ShortenedPath(const wxString&, const wxWindow&, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp:934:10: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 934 | if(pos1==wxNOT_FOUND || pos1+1 == path.length()) return path; | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp:936:10: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 936 | if(pos1==wxNOT_FOUND || pos1+1 == path.length()) return path; | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp:943:12: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 943 | if(pos2==wxNOT_FOUND || pos2+1 == tpath.length()) return path; | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp:946:46: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 946 | if(tpath.find_first_of(_T("/\\"), pos2+1)==wxNOT_FOUND) return path; | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp: In member function 'void OBGUIFrame::GetAvailableFormats()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp:1000:13: warning: comparison of integer expressions of different signedness: 'int' and 'const size_t' {aka 'const long unsigned int'} [-Wsign-compare] 1000 | if(pos!=wxString::npos) | ~~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp:1005:11: warning: variable 'n' set but not used [-Wunused-but-set-variable] 1005 | int n; | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp: In member function 'void OBGUIFrame::MakePluginsMenu()': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp:1101:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 1101 | for(int itop=0; itop < topvec.size(); ++itop) | ~~~~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp:1109:26: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 1109 | for(int isub=0; isub < subvec.size(); ++isub) | ~~~~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp: In member function 'void CFilenames::OnKeyPress(wxKeyEvent&)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp:1187:50: warning: comparison of integer expressions of different signedness: 'size_t' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 1187 | if(nameWithWildcard.find_first_of(_T("*?"))==wxNOT_FOUND) | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/OBGUI.cpp:1203:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 1203 | for(i=0;i/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/scripts && /usr/bin/cmake -E remove /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.txt cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/scripts/CMakeFiles/bindings_ruby.dir/DependInfo.cmake --color= Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/scripts/CMakeFiles/bindings_ruby.dir/DependInfo.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/scripts/CMakeFiles/bindings_ruby.dir/depend.internal". Dependee "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/scripts/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/scripts/CMakeFiles/bindings_ruby.dir/depend.internal". [ 86%] Building CXX object test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/test_runner.dir/automorphismtest.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/automorphismtest.cpp Scanning dependencies of target bindings_ruby gmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' /usr/bin/gmake -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu' [ 86%] Building CXX object scripts/CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbindings_ruby_EXPORTS -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/usr/include/python3.9 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIC -pthread -std=gnu++11 -o CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/automorphismtest.cpp: In function 'bool doAutomorphismTest(OpenBabel::OBMol&, int)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/automorphismtest.cpp:15:20: warning: comparison of integer expressions of different signedness: 'std::vector > >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 15 | return (G.size() == numAutomorphisms); | ~~~~~~~~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorInt(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:2793:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 2793 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:2793:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 2793 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorUnsignedInt(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:2894:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 2894 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:2894:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 2894 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:2898:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 2898 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:2898:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 2898 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:2900:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 2900 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:2900:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 2900 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorVInt(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3011:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3011 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3011:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3011 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3015:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3015 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { { std::vector< int >* v; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3015 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { { std::vector< int >* v; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorString(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3232:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3232 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3232:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3232 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3236:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3236 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3236:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3236 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3238:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3238 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3238:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3238 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorVector3(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3347:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3347 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3347 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3351:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3351 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3351:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3351 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3353:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3353 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3353:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3353 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorOBMol(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3466:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3466 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3466:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3466 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3470:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3470 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3470:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3470 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3472:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3472 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3472:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3472 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorOBBond(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3585:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3585 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3585:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3585 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3589:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3589 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3589:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3589 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3591:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3591 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3591:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3591 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorOBResidue(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3704:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3704 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3704:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3704 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3708:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3708 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3708:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3708 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorOBRing(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3824:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3824 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3824:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3824 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3828:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3828 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3828:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3828 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3830:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3830 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3830:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3830 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_VectorpOBRing(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3949:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 3949 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:3949:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 3949 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ [ 86%] Building CXX object test/CMakeFiles/test_runner.dir/buildertest.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/test_runner.dir/buildertest.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/buildertest.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBTypeTable_Translate__SWIG_0(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4543:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4543 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4543:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4543 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4544:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4544 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4544:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4544 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBTypeTable_Translate(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4580:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4580 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4580:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4580 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4582:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4582 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4582:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4582 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4586:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4586 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4586:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4586 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4588:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4588 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4588:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4588 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4590:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4590 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4590:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4590 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4594:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4594 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4594 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidueData_LookupBO__SWIG_1(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4667:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4667 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4667:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4667 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4668:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4668 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4668:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4668 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidueData_LookupBO(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4672:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4672 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4672:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4672 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4674:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4674 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4674:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4674 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4678:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4678 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4678 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4680:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4680 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4680:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4680 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4682:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4682 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4682:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4682 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_vector3(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4904:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4904 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4904:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4904 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_begin(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4963:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4963 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4963:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4963 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4967:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4967 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4967:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4967 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_end(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4984:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4984 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4984:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4984 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4988:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 4988 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:4988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 4988 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_Set(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5023:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5023 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5023:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5023 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5029:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5029 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5029 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_add(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5147:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5147 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5147:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5147 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5149:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5149 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5149:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5149 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5153:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5153 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5153:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5153 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_x(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5227:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5227 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5227:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5227 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5231:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5231 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5231:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5231 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_y(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5246:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5246 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5246:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5246 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5250:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5250 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5250:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5250 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_vector3_z(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5265:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5265 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5265:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5265 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5269:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5269 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5269:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5269 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap___sub__(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5394:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5394 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5394:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5394 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5398:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5398 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5398:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5398 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5400:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5400 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5400:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5400 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap___mul__(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5466:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5466 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5466:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5466 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5480:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5480 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5480:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5480 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_matrix3x3(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5714:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5714 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5714:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5714 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5716:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5716 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5716:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5716 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5718:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5718 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5718:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5718 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_matrix3x3___call__(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5770:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5770 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5770:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5770 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5777:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 5777 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:5777:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 5777 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_ConstIterator_next(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:8595:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 8595 | SWIGINTERN VALUE _wrap_ConstIterator_next(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_ConstIterator_previous(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:8622:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 8622 | SWIGINTERN VALUE _wrap_ConstIterator_previous(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBBitVec(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6055:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6055 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Iterator_next(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:8760:92: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 8760 | SWIGINTERN VALUE _wrap_Iterator_next(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6055:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6055 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Iterator_previous(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:8784:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 8784 | SWIGINTERN VALUE _wrap_Iterator_previous(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBitVec_FirstBit(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6140:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6140 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6140:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6140 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6144:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6144 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6144:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6144 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6146:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6146 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6146:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6146 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorInt___getitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:9104:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9104 | if (!_v) goto check_1; return _wrap_VectorInt___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:9104:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9104 | if (!_v) goto check_1; return _wrap_VectorInt___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorInt___setitem____SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:9158:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9158 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:9158:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9158 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorInt___setitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:9159:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 9159 | SWIGINTERN VALUE _wrap_VectorInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorUnsignedInt___getitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:9587:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9587 | if (!_v) goto check_1; return _wrap_VectorUnsignedInt___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:9587:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9587 | if (!_v) goto check_1; return _wrap_VectorUnsignedInt___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorUnsignedInt___setitem____SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:9644:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9644 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:9644:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9644 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorUnsignedInt___setitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:9645:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 9645 | SWIGINTERN VALUE _wrap_VectorUnsignedInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBGenericData(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6388:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6388 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6388:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6388 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6390:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6390 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6390:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6390 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorVInt___getitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:10106:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10106 | if (!_v) goto check_1; return _wrap_VectorVInt___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:10106:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10106 | if (!_v) goto check_1; return _wrap_VectorVInt___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6394:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6394 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6394:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6394 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6396:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6396 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6396:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6396 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorVInt___setitem____SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:10170:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10170 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:10170:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10170 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorVInt___setitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:10171:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 10171 | SWIGINTERN VALUE _wrap_VectorVInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorDouble___getitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:10597:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10597 | if (!_v) goto check_1; return _wrap_VectorDouble___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:10597:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10597 | if (!_v) goto check_1; return _wrap_VectorDouble___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorDouble___setitem____SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:10654:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10654 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBase_GetTitle(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6537:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6537 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6537 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:10654:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10654 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorDouble___setitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:10655:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 10655 | SWIGINTERN VALUE _wrap_VectorDouble___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6541:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6541 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6541:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6541 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBase_HasData(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6598:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6598 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6598:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6598 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6600:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6600 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6600:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6600 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6604:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6604 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6604:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6604 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6606:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6606 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6606:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6606 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6610:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6610 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6610:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6610 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorString___delete_2__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:10981:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10981 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:10981:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10981 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorString___getitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:11097:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11097 | if (!_v) goto check_1; return _wrap_VectorString___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:11097:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11097 | if (!_v) goto check_1; return _wrap_VectorString___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorString___setitem____SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:11157:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11157 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:11157:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11157 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorString___setitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:11158:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 11158 | SWIGINTERN VALUE _wrap_VectorString___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBase_DeleteData(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6668:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6668 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6668:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6668 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6670:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6670 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6670:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6670 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6674:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6674 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6674:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6674 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6680:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6680 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6680:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6680 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6682:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6682 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6682:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6682 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6686:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6686 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorString___delete__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:11356:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11356 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6686:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6686 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:11356:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11356 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6688:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6688 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6688:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6688 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorVector3___getitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:11616:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11616 | if (!_v) goto check_1; return _wrap_VectorVector3___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:11616:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11616 | if (!_v) goto check_1; return _wrap_VectorVector3___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorVector3___setitem____SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:11678:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11678 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:11678:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11678 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorVector3___setitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:11679:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 11679 | SWIGINTERN VALUE _wrap_VectorVector3___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBase_GetData(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6790:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6790 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6790:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6790 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6794:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6794 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6794:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6794 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6796:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6796 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6796:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6796 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6800:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6800 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6800:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6800 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6806:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6806 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6806 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6808:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6808 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6808:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6808 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6812:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6812 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6812:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6812 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBMol___getitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:12108:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12108 | if (!_v) goto check_1; return _wrap_VectorOBMol___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:12108:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12108 | if (!_v) goto check_1; return _wrap_VectorOBMol___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBCommentData_SetData(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6894:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6894 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBMol___setitem____SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:12170:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12170 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:12170:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12170 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6894:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6894 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBMol___setitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:12171:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 12171 | SWIGINTERN VALUE _wrap_VectorOBMol___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6896:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6896 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6896:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6896 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6900:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6900 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6900:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6900 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBExternalBond(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6963:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6963 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6963:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6963 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6965:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 6965 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:6965:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 6965 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBBond___getitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:12598:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12598 | if (!_v) goto check_1; return _wrap_VectorOBBond___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:12598:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12598 | if (!_v) goto check_1; return _wrap_VectorOBBond___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBBond___setitem____SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:12660:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12660 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:12660:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12660 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBBond___setitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:12661:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 12661 | SWIGINTERN VALUE _wrap_VectorOBBond___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBResidue___getitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:13090:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13090 | if (!_v) goto check_1; return _wrap_VectorOBResidue___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:13090:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13090 | if (!_v) goto check_1; return _wrap_VectorOBResidue___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBResidue___setitem____SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:13152:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13152 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:13152:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13152 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBResidue___setitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:13153:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 13153 | SWIGINTERN VALUE _wrap_VectorOBResidue___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPairData_SetValue(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7107:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7107 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7107:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7107 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7109:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7109 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7109:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7109 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7113:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7113 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7113:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7113 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBSetData_GetData(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7190:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7190 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7190:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7190 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7194:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7194 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7194 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7196:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7196 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7196:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7196 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7200:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7200 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7200:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7200 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBRing___getitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:13582:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13582 | if (!_v) goto check_1; return _wrap_VectorOBRing___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:13582:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13582 | if (!_v) goto check_1; return _wrap_VectorOBRing___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBRing___setitem____SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:13644:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13644 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:13644:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13644 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorOBRing___setitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:13645:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 13645 | SWIGINTERN VALUE _wrap_VectorOBRing___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBVirtualBond(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7286:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7286 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7286:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7286 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7288:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7288 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7288:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7288 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorpOBRing___getitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:14073:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14073 | if (!_v) goto check_1; return _wrap_VectorpOBRing___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7292:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7292 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7292:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7292 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7294:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7294 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7294:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7294 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7296:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7296 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7296:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7296 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:14073:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14073 | if (!_v) goto check_1; return _wrap_VectorpOBRing___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorpOBRing___setitem____SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:14134:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14134 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:14134:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14134 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorpOBRing___setitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:14135:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 14135 | SWIGINTERN VALUE _wrap_VectorpOBRing___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorpOBGenericData___getitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:14569:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14569 | if (!_v) goto check_1; return _wrap_VectorpOBGenericData___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:14569:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14569 | if (!_v) goto check_1; return _wrap_VectorpOBGenericData___getitem____SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorpOBGenericData___setitem____SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:14632:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14632 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:14632:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14632 | if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_VectorpOBGenericData___setitem__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:14633:111: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 14633 | SWIGINTERN VALUE _wrap_VectorpOBGenericData___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_SetData(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7549:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7549 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7549:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7549 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7555:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7555 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7555:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7555 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7557:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7557 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7557:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7557 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7559:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7559 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7559:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7559 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7561:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7561 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7561:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7561 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7565:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7565 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7565:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7565 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_SetSpaceGroup(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7629:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7629 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7629:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7629 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7631:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7631 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7631:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7631 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7635:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7635 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7635:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7635 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7641:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7641 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7641:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7641 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7643:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7643 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7643:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7643 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBTypeTable_set_from_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15277:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15277 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15277:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15277 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBTypeTable_set_to_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15289:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15289 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15289:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15289 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBTypeTable_translate__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15304:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15304 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15304:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15304 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15305:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15305 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15305:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15305 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBTypeTable_translate__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15324:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15324 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15324:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15324 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetA(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7689:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7689 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7689 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7693:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7693 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7693 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueData_set_res_name(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15402:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15402 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15402:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15402 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueData_lookup_bo__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15416:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15416 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15416:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15416 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueData_lookup_bo__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15434:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15434 | if (SWIG_IsNewObj(res3)) delete arg3; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetB(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7717:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7717 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7717:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7717 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7721:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7721 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7721:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7721 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15434:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15434 | if (SWIG_IsNewObj(res3)) delete arg3; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15435:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15435 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15435:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15435 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueData_lookup_bo(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15436:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 15436 | SWIGINTERN VALUE _wrap_OBResidueData_lookup_bo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueData_lookup_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15464:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15464 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15464:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15464 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetC(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7745:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7745 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7745:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7745 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBSqrtTbl(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15561:92: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 15561 | SWIGINTERN VALUE _wrap_new_OBSqrtTbl(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7749:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7749 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7749:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7749 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetAlpha(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7774:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7774 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7774:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7774 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_Vector3(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15687:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15687 | if (!_v) goto check_3; return _wrap_new_Vector3__SWIG_5(nargs, args, self);} check_3: if (argc == 1) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15687:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15687 | if (!_v) goto check_3; return _wrap_new_Vector3__SWIG_5(nargs, args, self);} check_3: if (argc == 1) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_begin(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15752:92: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 15752 | SWIGINTERN VALUE _wrap_Vector3_begin(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7778:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7778 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7778:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7778 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_end(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15776:90: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 15776 | SWIGINTERN VALUE _wrap_Vector3_end(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_set(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15804:90: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 15804 | SWIGINTERN VALUE _wrap_Vector3_set(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetBeta(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7803:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7803 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7803:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7803 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7807:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7807 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7807 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_add(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15912:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15912 | if (!_v) goto check_1; return _wrap_Vector3_add__SWIG_0(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15912:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15912 | if (!_v) goto check_1; return _wrap_Vector3_add__SWIG_0(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetGamma(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7832:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7832 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7832:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7832 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7836:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7836 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_x(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:15992:88: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 15992 | SWIGINTERN VALUE _wrap_Vector3_x(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7836 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_y(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:16005:88: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 16005 | SWIGINTERN VALUE _wrap_Vector3_y(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Vector3_z(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:16018:88: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 16018 | SWIGINTERN VALUE _wrap_Vector3_z(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetOffset(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7860:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7860 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7860:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7860 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7864:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7864 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7864:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7864 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap___sub__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:16172:86: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 16172 | SWIGINTERN VALUE _wrap___sub__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetSpaceGroup(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7889:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7889 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7889:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7889 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7893:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7893 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7893:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7893 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetSpaceGroupName(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7918:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7918 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7918:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7918 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7922:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7922 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7922:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7922 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetLatticeType(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7971:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7971 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7971:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7971 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7975:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7975 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7975:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7975 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7979:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7979 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7979:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7979 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7985:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 7985 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:7985:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 7985 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_Matrix3x3___call__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:16528:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 16528 | SWIGINTERN VALUE _wrap_Matrix3x3___call__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetCellVectors(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8018:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8018 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8018:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8018 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8022:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8022 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8022:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8022 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetCellMatrix(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8046:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8046 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8046:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8046 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8050:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8050 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8050:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8050 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetOrthoMatrix(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8075:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8075 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8075 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8079:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8079 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8079 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetOrientationMatrix(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8104:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8104 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8104:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8104 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8108:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8108 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBitVec_first_bit(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:16878:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 16878 | SWIGINTERN VALUE _wrap_OBBitVec_first_bit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8108:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8108 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetFractionalMatrix(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8133:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8133 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8133:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8133 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBitVec_from_vec_int(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:16970:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16970 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:16970:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16970 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8137:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8137 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8137:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8137 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_FractionalToCartesian(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8174:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8174 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8174:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8174 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8176:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8176 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8176:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8176 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8180:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8180 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8180:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8180 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8182:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8182 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8182:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8182 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBGenericData(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17122:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 17122 | SWIGINTERN VALUE _wrap_new_OBGenericData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBGenericData_set_attribute(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17163:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17163 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17163:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17163 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_CartesianToFractional(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8219:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8219 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8219:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8219 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8221:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8221 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8221:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8221 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8225:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8225 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8225:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8225 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8227:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8227 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8227:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8227 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBase_get_title(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17266:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 17266 | SWIGINTERN VALUE _wrap_OBBase_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_WrapCartesianCoordinate(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8264:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8264 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8264:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8264 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8266:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8266 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8266:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8266 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8270:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8270 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8270:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8270 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8272:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8272 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8272:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8272 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBase_has_data__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17294:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17294 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17294:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17294 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBase_has_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17306:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17306 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_WrapFractionalCoordinate(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8309:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8309 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8309:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8309 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8311:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8311 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8311:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8311 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8315:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8315 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8315:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8315 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8317:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8317 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8317:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8317 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17306:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17306 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBase_delete_data__SWIG_3(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17374:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17374 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_UnwrapCartesianNear(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8364:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8364 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8364:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8364 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17374:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17374 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8366:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8366 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8366:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8366 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8368:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8368 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8368:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8368 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBase_delete_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17379:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17379 | if (!_v) goto check_1; return _wrap_OBBase_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { int _v = 0; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17379:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17379 | if (!_v) goto check_1; return _wrap_OBBase_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { int _v = 0; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8372:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8372 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8372:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8372 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8374:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8374 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8374:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8374 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17384:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17384 | if (!_v) goto check_3; return _wrap_OBBase_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17384:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17384 | if (!_v) goto check_3; return _wrap_OBBase_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8376:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8376 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8376:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8376 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_UnwrapFractionalNear(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8423:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8423 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8423:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8423 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8425:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8425 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8425:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8425 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8427:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8427 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8427:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8427 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBase_get_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17432:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17432 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17432:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17432 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8431:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8431 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8431:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8431 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8433:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8433 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8433:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8433 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8435:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8435 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8435:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8435 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBase_get_data__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17444:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17444 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17444:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17444 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBCommentData(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17553:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 17553 | SWIGINTERN VALUE _wrap_new_OBCommentData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_MinimumImageCartesian(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8472:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8472 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBCommentData_set_data__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17571:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17571 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17571:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17571 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8472:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8472 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8474:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8474 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8474:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8474 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBCommentData_set_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17586:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17586 | if (!_v) goto check_1; return _wrap_OBCommentData_set_data__SWIG_0(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17586:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17586 | if (!_v) goto check_1; return _wrap_OBCommentData_set_data__SWIG_0(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8478:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8478 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8478:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8478 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8480:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8480 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8480:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8480 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBExternalBond(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17646:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 17646 | SWIGINTERN VALUE _wrap_new_OBExternalBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_MinimumImageFractional(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8517:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8517 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8517:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8517 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8519:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8519 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8519:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8519 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8523:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8523 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8523:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8523 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8525:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8525 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8525:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8525 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPairData_set_value__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17806:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17806 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17806:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17806 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPairData_set_value(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17810:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17810 | if (!_v) goto check_1; return _wrap_OBPairData_set_value__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17810:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17810 | if (!_v) goto check_1; return _wrap_OBPairData_set_value__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSetData_get_data__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17872:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17872 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17872:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17872 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetSpaceGroupNumber(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8573:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8573 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8573:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8573 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8577:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8577 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8577:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8577 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSetData_get_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17886:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17886 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17886:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17886 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8581:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8581 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8581:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8581 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8583:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8583 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8583:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8583 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8587:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8587 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8587:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8587 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8589:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8589 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8589:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8589 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBUnitCell_GetCellVolume(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8616:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8616 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8616:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8616 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8620:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8620 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8620 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBVirtualBond(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:17984:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 17984 | SWIGINTERN VALUE _wrap_new_OBVirtualBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBRingData(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18056:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18056 | SWIGINTERN VALUE _wrap_new_OBRingData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBUnitCell(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18180:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18180 | SWIGINTERN VALUE _wrap_new_OBUnitCell(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_set_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18249:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18249 | SWIGINTERN VALUE _wrap_OBUnitCell_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_set_space_group(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18304:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18304 | if (!_v) goto check_2; return _wrap_OBUnitCell_set_space_group__SWIG_2(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18304:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18304 | if (!_v) goto check_2; return _wrap_OBUnitCell_set_space_group__SWIG_2(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_a(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18346:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18346 | SWIGINTERN VALUE _wrap_OBUnitCell_get_a(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_b(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18367:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18367 | SWIGINTERN VALUE _wrap_OBUnitCell_get_b(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_c(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18388:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18388 | SWIGINTERN VALUE _wrap_OBUnitCell_get_c(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_alpha(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18410:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18410 | SWIGINTERN VALUE _wrap_OBUnitCell_get_alpha(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_beta(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18432:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18432 | SWIGINTERN VALUE _wrap_OBUnitCell_get_beta(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_gamma(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18455:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18455 | SWIGINTERN VALUE _wrap_OBUnitCell_get_gamma(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_offset(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18479:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18479 | SWIGINTERN VALUE _wrap_OBUnitCell_get_offset(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_space_group(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18504:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18504 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_space_group_name(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18528:110: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18528 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group_name(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBSymmetryData_SetData(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8848:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8848 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8848:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8848 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8850:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8850 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8850:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8850 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8854:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8854 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8854:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8854 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8856:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8856 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8856:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8856 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8858:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8858 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8858:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8858 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_lattice_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18574:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18574 | SWIGINTERN VALUE _wrap_OBUnitCell_get_lattice_type(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_cell_vectors(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18603:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18603 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_vectors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_cell_matrix(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18628:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18628 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_ortho_matrix(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18652:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18652 | SWIGINTERN VALUE _wrap_OBUnitCell_get_ortho_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_orientation_matrix(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18678:112: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18678 | SWIGINTERN VALUE _wrap_OBUnitCell_get_orientation_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_fractional_matrix(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18704:111: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18704 | SWIGINTERN VALUE _wrap_OBUnitCell_get_fractional_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_fractional_to_cartesian(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18740:113: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18740 | SWIGINTERN VALUE _wrap_OBUnitCell_fractional_to_cartesian(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_cartesian_to_fractional(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18776:113: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18776 | SWIGINTERN VALUE _wrap_OBUnitCell_cartesian_to_fractional(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBTorsion_AddTorsion(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8979:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8979 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8979:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8979 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8985:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8985 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8985:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8985 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8987:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8987 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8987:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8987 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8989:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8989 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8989:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8989 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8991:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8991 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8991:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8991 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8993:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 8993 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:8993:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 8993 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_wrap_cartesian_coordinate(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18812:115: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18812 | SWIGINTERN VALUE _wrap_OBUnitCell_wrap_cartesian_coordinate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_wrap_fractional_coordinate(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18848:116: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18848 | SWIGINTERN VALUE _wrap_OBUnitCell_wrap_fractional_coordinate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBTorsion_SetAngle(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9027:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9027 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9027 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9033:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9033 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9033:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9033 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9037:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9037 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9037:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9037 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_unwrap_cartesian_near(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18896:111: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18896 | SWIGINTERN VALUE _wrap_OBUnitCell_unwrap_cartesian_near(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_unwrap_fractional_near(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18945:112: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18945 | SWIGINTERN VALUE _wrap_OBUnitCell_unwrap_fractional_near(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBTorsion_GetAngle(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9087:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9087 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9087:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9087 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9089:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9089 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9089:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9089 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9093:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9093 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9093:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9093 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_minimum_image_cartesian(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:18982:113: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 18982 | SWIGINTERN VALUE _wrap_OBUnitCell_minimum_image_cartesian(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9095:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9095 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9095:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9095 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9097:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9097 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9097:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9097 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_minimum_image_fractional(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19018:114: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19018 | SWIGINTERN VALUE _wrap_OBUnitCell_minimum_image_fractional(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_space_group_number(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19063:112: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19063 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group_number(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBUnitCell_get_cell_volume(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19090:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19090 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_volume(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBConformerData(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19123:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19123 | SWIGINTERN VALUE _wrap_new_OBConformerData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBAngle(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9211:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9211 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9211:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9211 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBSymmetryData(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19304:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19304 | SWIGINTERN VALUE _wrap_new_OBSymmetryData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSymmetryData_set_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19337:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19337 | SWIGINTERN VALUE _wrap_OBSymmetryData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAngle_SetAtoms(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9293:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9293 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9293:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9293 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9299:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9299 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9299 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9301:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9301 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9301:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9301 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9303:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9303 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9303:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9303 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9305:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9305 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9305 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBTorsion(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19401:92: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19401 | SWIGINTERN VALUE _wrap_new_OBTorsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBTorsion_add_torsion(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19464:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19464 | SWIGINTERN VALUE _wrap_OBTorsion_add_torsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBTorsion_set_angle(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19496:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19496 | SWIGINTERN VALUE _wrap_OBTorsion_set_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBTorsion_get_angle(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19540:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19540 | SWIGINTERN VALUE _wrap_OBTorsion_get_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBAngle(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19672:90: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19672 | SWIGINTERN VALUE _wrap_new_OBAngle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAngle_set_atoms(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19757:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19757 | SWIGINTERN VALUE _wrap_OBAngle_set_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAngleData_fill_angle_array(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19807:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19807 | SWIGINTERN VALUE _wrap_OBAngleData_fill_angle_array(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAngleData_FillAngleArray(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9351:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9351 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9351:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9351 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBSerialNums(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19867:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19867 | SWIGINTERN VALUE _wrap_new_OBSerialNums(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9357:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9357 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9357:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9357 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9361:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9361 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9361:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9361 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBVibrationData_set_data__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19956:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19956 | if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19956:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19956 | if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19957:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19957 | if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19957:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19957 | if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBVibrationData_set_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19992:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19992 | if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19992:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19992 | if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBVibrationData_set_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:19995:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 19995 | SWIGINTERN VALUE _wrap_OBVibrationData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDOSData_set_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20103:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20103 | if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20103:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20103 | if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBOrbital_set_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20180:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 20180 | SWIGINTERN VALUE _wrap_OBOrbital_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBVibrationData_SetData(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9532:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9532 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9532:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9532 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9543:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9543 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBOrbitalData_set_homo(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20307:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 20307 | SWIGINTERN VALUE _wrap_OBOrbitalData_set_homo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9543:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9543 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9547:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9547 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9547:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9547 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9558:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9558 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { { std::vector< double >* v; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9558:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9558 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { { std::vector< double >* v; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBElectronicTransitionData_set_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20465:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20465 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20465:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20465 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20466:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20466 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20466:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20466 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBElectronicTransitionData_set_edipole(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20480:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20480 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20480:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20480 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBElectronicTransitionData_set_rotatory_strengths_velocity(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20494:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20494 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20494:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20494 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBElectronicTransitionData_set_rotatory_strengths_length(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20508:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20508 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20508:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20508 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBVectorData_set_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20676:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 20676 | SWIGINTERN VALUE _wrap_OBVectorData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBOrbital_SetData(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9738:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9738 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9738:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9738 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBFreeGridPoint(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:20768:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 20768 | SWIGINTERN VALUE _wrap_new_OBFreeGridPoint(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9744:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9744 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9744:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9744 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9752:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9752 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9752:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9752 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9758:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9758 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9758:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9758 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBGridData_get_axes(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21101:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21101 | if (!_v) goto check_1; return _wrap_OBGridData_get_axes__SWIG_0(nargs, args, self);} check_1: if (argc == 4) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21101:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21101 | if (!_v) goto check_1; return _wrap_OBGridData_get_axes__SWIG_0(nargs, args, self);} check_1: if (argc == 4) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBOrbitalData_SetHOMO(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9861:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9861 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9861:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9861 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9867:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 9867 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBGridData_get_number_of_points(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21137:110: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 21137 | SWIGINTERN VALUE _wrap_OBGridData_get_number_of_points(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:9867:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 9867 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBGridData_get_value(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21191:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 21191 | SWIGINTERN VALUE _wrap_OBGridData_get_value(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBGridData_get_origin_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21243:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 21243 | SWIGINTERN VALUE _wrap_OBGridData_get_origin_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBGridData_set_limits(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21345:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21345 | if (!_v) goto check_1; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21345:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21345 | if (!_v) goto check_1; { void *vptr = 0; | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21347:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21347 | if (!_v) goto check_1; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21347:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21347 | if (!_v) goto check_1; { void *vptr = 0; | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21349:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21349 | if (!_v) goto check_1; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21349:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21349 | if (!_v) goto check_1; { void *vptr = 0; | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21351:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21351 | if (!_v) goto check_1; return _wrap_OBGridData_set_limits__SWIG_0(nargs, args, self);} check_1: if (argc == 5) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21351:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21351 | if (!_v) goto check_1; return _wrap_OBGridData_set_limits__SWIG_0(nargs, args, self);} check_1: if (argc == 5) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBGridData_set_values(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21387:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21387 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21387:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21387 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_CharPtrLess___call__(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21455:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21455 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21455:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21455 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21456:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21456 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21456:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21456 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_display__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21520:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21520 | if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21520:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21520 | if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21521:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21521 | if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21521:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21521 | if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_display__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21539:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21539 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21539:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21539 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_display(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21540:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 21540 | SWIGINTERN VALUE _wrap_OBPlugin_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_make_instance(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21561:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21561 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21561:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21561 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_get_plugin(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21579:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21579 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21579:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21579 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21580:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21580 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21580:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21580 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_list_as_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21607:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21607 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21607:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21607 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21608:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21608 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21608:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21608 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_list__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21621:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21621 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21621:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21621 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21622:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21622 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21622:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21622 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_list__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21631:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21631 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21631:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21631 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21632:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21632 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21632:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21632 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_list__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21639:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21639 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21639:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21639 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_list(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21640:92: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 21640 | SWIGINTERN VALUE _wrap_OBPlugin_list(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBVectorData_SetData(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10249:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10249 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10249:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10249 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10251:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10251 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10251:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10251 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10255:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10255 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10255:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10255 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_list_as_string__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21658:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21658 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21658:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21658 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21659:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21659 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21659:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21659 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_list_as_string(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21668:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 21668 | SWIGINTERN VALUE _wrap_OBPlugin_list_as_string(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_begin(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21692:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21692 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21692:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21692 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPlugin_end(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21702:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21702 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21702:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21702 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBError__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21770:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21770 | if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21770:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21770 | if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21772:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21772 | if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21772:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21772 | if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBError__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21800:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21800 | if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21800:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21800 | if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21802:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21802 | if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21802:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21802 | if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBError__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21826:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21826 | if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return self; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21826:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21826 | if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return self; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21827:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21827 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21827:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21827 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21828:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21828 | if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21828:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21828 | if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBError__SWIG_3(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21848:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21848 | if (SWIG_IsNewObj(res3)) delete arg3; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21848:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21848 | if (SWIG_IsNewObj(res3)) delete arg3; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21849:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21849 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21849:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21849 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBError__SWIG_4(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21864:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21864 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21864:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21864 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBError__SWIG_5(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21873:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21873 | if (SWIG_IsNewObj(res1)) delete arg1; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21873:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21873 | if (SWIG_IsNewObj(res1)) delete arg1; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBError(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:21888:90: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 21888 | SWIGINTERN VALUE _wrap_new_OBError(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMessageHandler_throw_error__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22059:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22059 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22059:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22059 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22060:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22060 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22060:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22060 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMessageHandler_throw_error__SWIG_3(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22080:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22080 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBGridData_GetAxes(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10631:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10631 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10631:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10631 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22080:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22080 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10641:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10641 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10641:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10641 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10643:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10643 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10643:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10643 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10645:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10645 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10645:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10645 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10647:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10647 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10647:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10647 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22081:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22081 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22081:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22081 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMessageHandler_throw_error__SWIG_4(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22098:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22098 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22098:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22098 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22099:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22099 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22099:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22099 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBGridData_GetNumberOfPoints(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10687:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10687 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10687:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10687 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10691:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10691 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10691:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10691 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10693:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10693 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10693 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10695:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10695 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10695:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10695 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10697:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10697 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10697:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10697 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBGridData_GetValue(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10754:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10754 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10754:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10754 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10756:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10756 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10756:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10756 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10760:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10760 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10760:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10760 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_find_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22312:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22312 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22312:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22312 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBGridData_GetOriginVector(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10819:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10819 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10819:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10819 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10823:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10823 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10823 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_register_format__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22442:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22442 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22442:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22442 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22443:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22443 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22443:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22443 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_register_format__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22455:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22455 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22455:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22455 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_register_format(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22456:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 22456 | SWIGINTERN VALUE _wrap_OBFormat_register_format(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_display__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22482:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22482 | if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22482:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22482 | if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22483:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22483 | if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22483:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22483 | if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_display__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22501:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22501 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22501:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22501 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_display(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22502:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 22502 | SWIGINTERN VALUE _wrap_OBFormat_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFormat_format_from_mime(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22516:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22516 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22516:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22516 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBConversion(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22595:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22595 | if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(nargs, args, self);} check_5: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22595:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22595 | if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(nargs, args, self);} check_5: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_register_format__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22621:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22621 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBGridData_SetLimits(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10925:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10925 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10925 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10927:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10927 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10927:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10927 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10929:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10929 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10929:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10929 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10931:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10931 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10931:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10931 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10933:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10933 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10933:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10933 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10937:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 10937 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:10937:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 10937 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22621:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22621 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22622:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22622 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22622:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22622 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_register_format__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22635:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22635 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22635:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22635 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_register_format(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22636:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 22636 | SWIGINTERN VALUE _wrap_OBConversion_register_format(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_find_format__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22651:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22651 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22651:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22651 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_format_from_ext__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22677:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22677 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22677:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22677 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_format_from_ext__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22692:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22692 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22692:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22692 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_CharPtrLess___call__(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11040:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11040 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11040:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11040 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11041:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11041 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_format_from_mime(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22736:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22736 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11041:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11041 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22736:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22736 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_stream(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22781:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 22781 | SWIGINTERN VALUE _wrap_OBConversion_set_in_stream(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_out_stream(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22810:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 22810 | SWIGINTERN VALUE _wrap_OBConversion_set_out_stream(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22835:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22835 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22835:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22835 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22836:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22836 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22836:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22836 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22853:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22853 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22853:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22853 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22854:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22854 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22854:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22854 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22869:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22869 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22869:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22869 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22870:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22870 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22870:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22870 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPlugin_Display__SWIG_0(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11089:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11089 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11089:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11089 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11090:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11090 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11090:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11090 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_and_out_formats(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22928:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22928 | if (!_v) goto check_1; return _wrap_OBConversion_set_in_and_out_formats__SWIG_5(nargs, args, self);} check_1: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22928:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22928 | if (!_v) goto check_1; return _wrap_OBConversion_set_in_and_out_formats__SWIG_5(nargs, args, self);} check_1: | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22931:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22931 | if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0); | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22931:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22931 | if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0); | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22936:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22936 | if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0); | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22936:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22936 | if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0); | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPlugin_Display(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11112:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11112 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11112:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11112 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11114:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11114 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11114:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11114 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11120:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11120 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11120:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11120 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11122:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11122 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11122:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11122 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_format__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22960:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22960 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22960:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22960 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_format__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22972:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22972 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:22972:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22972 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_in_format(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23004:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23004 | if (!_v) goto check_3; return _wrap_OBConversion_set_in_format__SWIG_2(nargs, args, self);} check_3: if (argc == 3) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23004:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23004 | if (!_v) goto check_3; return _wrap_OBConversion_set_in_format__SWIG_2(nargs, args, self);} check_3: if (argc == 3) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_out_format__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23024:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23024 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23024:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23024 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_out_format__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23036:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23036 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23036:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23036 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_out_format(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23068:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23068 | if (!_v) goto check_3; return _wrap_OBConversion_set_out_format__SWIG_2(nargs, args, self);} check_3: if (argc == 3) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23068:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23068 | if (!_v) goto check_3; return _wrap_OBConversion_set_out_format__SWIG_2(nargs, args, self);} check_3: if (argc == 3) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPlugin_GetPlugin(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11163:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11163 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11163:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11163 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11164:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11164 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11164:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11164 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_is_option__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23191:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23191 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23191:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23191 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_is_option__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23203:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23203 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23203:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23203 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPlugin_ListAsVector(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11187:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11187 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11187:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11187 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_is_option(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23204:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 23204 | SWIGINTERN VALUE _wrap_OBConversion_is_option(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11188:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11188 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11188:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11188 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_add_option__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23242:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23242 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23242:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23242 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23243:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23243 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23243:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23243 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPlugin_List(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11228:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11228 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11228:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11228 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11233:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11233 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11233:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11233 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_add_option__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23257:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23257 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23257:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23257 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPlugin_ListAsString__SWIG_0(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11252:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11252 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11252:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11252 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11253:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11253 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_add_option(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23269:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 23269 | SWIGINTERN VALUE _wrap_OBConversion_add_option(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11253:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11253 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_remove_option(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23292:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23292 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23292:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23292 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_options(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23306:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23306 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBPlugin_ListAsString(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11269:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11269 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23306:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23306 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11269:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11269 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_register_option_param(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23344:113: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 23344 | SWIGINTERN VALUE _wrap_OBConversion_register_option_param(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_copy_options(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23388:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 23388 | SWIGINTERN VALUE _wrap_OBConversion_copy_options(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_convert(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23436:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 23436 | SWIGINTERN VALUE _wrap_OBConversion_convert(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBError__SWIG_0(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11359:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11359 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11359:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11359 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11360:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11360 | if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11360:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11360 | if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11361:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11361 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11361:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11361 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11362:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11362 | if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11362:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11362 | if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_first_input(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23521:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 23521 | SWIGINTERN VALUE _wrap_OBConversion_set_first_input(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_set_one_object_only(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23566:111: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 23566 | SWIGINTERN VALUE _wrap_OBConversion_set_one_object_only(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBError__SWIG_1(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11396:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11396 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11396:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11396 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11397:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11397 | if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11397:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11397 | if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11398:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11398 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11398:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11398 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11399:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11399 | if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11399:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11399 | if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_write(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23630:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 23630 | SWIGINTERN VALUE _wrap_OBConversion_write(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_write_string(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23662:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 23662 | SWIGINTERN VALUE _wrap_OBConversion_write_string(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBError__SWIG_2(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11426:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11426 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11426:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11426 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11428:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11428 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11428:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11428 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_read(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23715:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 23715 | SWIGINTERN VALUE _wrap_OBConversion_read(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBError__SWIG_3(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11451:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11451 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11451:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11451 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11453:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11453 | if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11453:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11453 | if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); } } | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBConversion_report_number_converted(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23788:115: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 23788 | SWIGINTERN VALUE _wrap_OBConversion_report_number_converted(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBResidue(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23829:92: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 23829 | SWIGINTERN VALUE _wrap_new_OBResidue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBError__SWIG_4(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11469:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11469 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11469:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11469 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11470:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11470 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11470:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11470 | if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidue_set_name(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23882:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23882 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23882:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23882 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBError(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11493:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11493 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11493:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11493 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11495:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11495 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11495:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11495 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11499:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11499 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11499:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11499 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11501:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11501 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11501:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11501 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11503:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11503 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11503:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11503 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11507:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11507 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11507:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11507 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11509:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11509 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11509:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11509 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11511:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11511 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11511:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11511 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11513:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11513 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11513:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11513 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11517:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11517 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11517:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11517 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11519:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11519 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11519:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11519 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11521:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11521 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11521:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11521 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11523:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11523 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11523:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11523 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11525:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11525 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11525:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11525 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11529:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11529 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11529:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11529 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11531:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11531 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11531:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11531 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11533:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11533 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11533:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11533 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11535:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11535 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11535:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11535 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11537:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11537 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11537 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidue_set_num(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23905:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23905 | if (!_v) goto check_1; return _wrap_OBResidue_set_num__SWIG_0(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23905:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23905 | if (!_v) goto check_1; return _wrap_OBResidue_set_num__SWIG_0(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidue_set_atom_id(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23960:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23960 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:23960:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23960 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidue_get_bonds(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:24082:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 24082 | SWIGINTERN VALUE _wrap_OBResidue_get_bonds(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMessageHandler_ThrowError__SWIG_2(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11689:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11689 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11689:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11689 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11690:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11690 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11690:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11690 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMessageHandler_ThrowError__SWIG_3(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11711:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11711 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11711:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11711 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11712:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11712 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11712:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11712 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMessageHandler_ThrowError__SWIG_4(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11730:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11730 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11730:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11730 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11731:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11731 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11731:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11731 | if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMessageHandler_ThrowError(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11735:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11735 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11735 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11737:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11737 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11737:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11737 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11741:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11741 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11741 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11743:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11743 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11743:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11743 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11749:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11749 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11749:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11749 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11751:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11751 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11751:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11751 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11753:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11753 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11753:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11753 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11757:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11757 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11757:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11757 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11759:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11759 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11759:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11759 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11761:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11761 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11761:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11761 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11767:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11767 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11767:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11767 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11769:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11769 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11769:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11769 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11771:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 11771 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:11771:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 11771 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBInternalCoord(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:24455:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 24455 | SWIGINTERN VALUE _wrap_new_OBInternalCoord(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_get_exact_mass(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:24514:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 24514 | SWIGINTERN VALUE _wrap_get_exact_mass(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_set_type__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:25224:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25224 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:25224:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25224 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_set_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:25228:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25228 | if (!_v) goto check_1; return _wrap_OBAtom_set_type__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:25228:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25228 | if (!_v) goto check_1; return _wrap_OBAtom_set_type__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_set_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:25281:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 25281 | SWIGINTERN VALUE _wrap_OBAtom_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBFormat_RegisterFormat__SWIG_0(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12085:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12085 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12085:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12085 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12086:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12086 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12086:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12086 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_set_aromatic(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:25323:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 25323 | SWIGINTERN VALUE _wrap_OBAtom_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBFormat_RegisterFormat(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12102:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12102 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12102:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12102 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_set_in_ring(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:25343:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 25343 | SWIGINTERN VALUE _wrap_OBAtom_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12108:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12108 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12108:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12108 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBFormat_Display__SWIG_0(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12134:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12134 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12134:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12134 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12135:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12135 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12135:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12135 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBFormat_Display(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12157:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12157 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12157:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12157 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12159:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12159 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_get_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:25578:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 25578 | SWIGINTERN VALUE _wrap_OBAtom_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12159 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12165:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12165 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12165:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12165 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12167:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12167 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12167:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12167 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_get_distance(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:25754:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25754 | if (!_v) goto check_2; return _wrap_OBAtom_get_distance__SWIG_2(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:25754:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25754 | if (!_v) goto check_2; return _wrap_OBAtom_get_distance__SWIG_2(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBConversion(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12259:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12259 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_get_angle(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:25791:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25791 | if (!_v) goto check_1; return _wrap_OBAtom_get_angle__SWIG_1(nargs, args, self);} check_1: if (argc == 3) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:25791:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25791 | if (!_v) goto check_1; return _wrap_OBAtom_get_angle__SWIG_1(nargs, args, self);} check_1: if (argc == 3) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12259:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12259 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12270:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12270 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12270:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12270 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_RegisterFormat__SWIG_0(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12300:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12300 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12300:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12300 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12301:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12301 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12301:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12301 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_explicit_hydrogen_count(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:25914:109: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 25914 | SWIGINTERN VALUE _wrap_OBAtom_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_RegisterFormat(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12321:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12321 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12321:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12321 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12327:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12327 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12327:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12327 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_FindFormat(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12356:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12356 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12356 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_FormatFromExt(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12416:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12416 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12416:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12416 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_has_alpha_beta_unsat(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26189:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 26189 | SWIGINTERN VALUE _wrap_OBAtom_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12431:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12431 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12431:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12431 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtom_matches_smarts(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26263:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26263 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26263:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26263 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_set_length(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26374:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 26374 | SWIGINTERN VALUE _wrap_OBBond_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetInStream(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12496:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12496 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12496 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12502:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12502 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_set_aromatic(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26415:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 26415 | SWIGINTERN VALUE _wrap_OBBond_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12502:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12502 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_set_wedge(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26435:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 26435 | SWIGINTERN VALUE _wrap_OBBond_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_set_hash(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26454:94: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 26454 | SWIGINTERN VALUE _wrap_OBBond_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_set_wedge_or_hash(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26473:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 26473 | SWIGINTERN VALUE _wrap_OBBond_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_set_in_ring(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26493:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 26493 | SWIGINTERN VALUE _wrap_OBBond_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetOutStream(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12538:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12538 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_set_closure(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26513:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 26513 | SWIGINTERN VALUE _wrap_OBBond_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12538:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12538 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12544:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12544 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12544:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12544 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetInAndOutFormats__SWIG_0(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12573:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12573 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12573:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12573 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12574:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12574 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12574:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12574 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_get_begin_atom(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26586:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 26586 | SWIGINTERN VALUE _wrap_OBBond_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetInAndOutFormats__SWIG_1(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12591:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12591 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_get_end_atom(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26611:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 26611 | SWIGINTERN VALUE _wrap_OBBond_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12591:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12591 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12592:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12592 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12592:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12592 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetInAndOutFormats__SWIG_2(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12606:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12606 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12606:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12606 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12607:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12607 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12607:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12607 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBond_is_rotor(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26704:94: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 26704 | SWIGINTERN VALUE _wrap_OBBond_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMol(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26826:88: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 26826 | SWIGINTERN VALUE _wrap_new_OBMol(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetInAndOutFormats(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12667:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12667 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12667:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12667 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12669:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12669 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12669:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12669 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12671:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12671 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12671 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12675:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12675 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12675:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12675 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12682:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12682 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12682:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12682 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12684:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12684 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12684:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12684 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12686:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12686 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12686:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12686 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12692:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12692 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12692:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12692 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_add_atom(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26916:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 26916 | SWIGINTERN VALUE _wrap_OBMol_add_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12701:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12701 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12701:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12701 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12703:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12703 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12703:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12703 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12705:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12705 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12705:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12705 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12713:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12713 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12713:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12713 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_add_bond(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:26998:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 26998 | SWIGINTERN VALUE _wrap_OBMol_add_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[7]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_new_atom(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27042:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27042 | SWIGINTERN VALUE _wrap_OBMol_new_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_new_bond(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27068:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27068 | SWIGINTERN VALUE _wrap_OBMol_new_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_delete_atom(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27106:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27106 | SWIGINTERN VALUE _wrap_OBMol_delete_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_delete_bond(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27138:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27138 | SWIGINTERN VALUE _wrap_OBMol_delete_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetInFormat(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12787:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12787 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_delete_residue(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27170:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27170 | SWIGINTERN VALUE _wrap_OBMol_delete_residue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12787:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12787 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12789:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12789 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_end_modify(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27197:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27197 | SWIGINTERN VALUE _wrap_OBMol_end_modify(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12789:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12789 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12793:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12793 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12793:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12793 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12799:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12799 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12799:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12799 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12801:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12801 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12801:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12801 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12807:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12807 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12807 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_get_title(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27245:94: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27245 | SWIGINTERN VALUE _wrap_OBMol_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_num_rotors(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27295:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27295 | SWIGINTERN VALUE _wrap_OBMol_num_rotors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_get_bond(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27389:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27389 | if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0); | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27389:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27389 | if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0); | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetOutFormat(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12876:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12876 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12876 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12878:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12878 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12878 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12882:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12882 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12882:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12882 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12888:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12888 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12888:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12888 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12890:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12890 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_get_torsion(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27461:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27461 | if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[3], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0); | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12890:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12890 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27461:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27461 | if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[3], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0); | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12896:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 12896 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:12896:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 12896 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27464:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27464 | if (!_v) goto check_1; return _wrap_OBMol_get_torsion__SWIG_1(nargs, args, self);} check_1: if (argc == 5) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27464:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27464 | if (!_v) goto check_1; return _wrap_OBMol_get_torsion__SWIG_1(nargs, args, self);} check_1: if (argc == 5) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_get_spaced_formula(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27555:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27555 | SWIGINTERN VALUE _wrap_OBMol_get_spaced_formula(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_get_mol_wt(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27589:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27589 | SWIGINTERN VALUE _wrap_OBMol_get_mol_wt(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_get_exact_mass(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27611:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27611 | SWIGINTERN VALUE _wrap_OBMol_get_exact_mass(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_IsOption(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13035:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13035 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13035:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13035 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13041:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13041 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13041:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13041 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_AddOption__SWIG_1(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13096:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13096 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13096:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13096 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); } } | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_AddOption(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13111:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13111 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13111 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13117:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13117 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13117 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_aromatic_perceived(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27799:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27799 | SWIGINTERN VALUE _wrap_OBMol_set_aromatic_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13124:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13124 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13124:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13124 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_sssrperceived(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27819:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27819 | SWIGINTERN VALUE _wrap_OBMol_set_sssrperceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_lssrperceived(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27839:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27839 | SWIGINTERN VALUE _wrap_OBMol_set_lssrperceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_ring_atoms_and_bonds_perceived(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27860:119: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27860 | SWIGINTERN VALUE _wrap_OBMol_set_ring_atoms_and_bonds_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_atom_types_perceived(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27881:109: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27881 | SWIGINTERN VALUE _wrap_OBMol_set_atom_types_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetOptions(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13166:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13166 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13166:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13166 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); } } | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_ring_types_perceived(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27901:109: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27901 | SWIGINTERN VALUE _wrap_OBMol_set_ring_types_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_chains_perceived(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27921:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27921 | SWIGINTERN VALUE _wrap_OBMol_set_chains_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_RegisterOptionParam(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13214:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13214 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_chirality_perceived(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27941:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27941 | SWIGINTERN VALUE _wrap_OBMol_set_chirality_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13214:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13214 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13216:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13216 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13216:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13216 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_partial_charges_perceived(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27961:114: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27961 | SWIGINTERN VALUE _wrap_OBMol_set_partial_charges_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13220:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13220 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13220:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13220 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_hybridization_perceived(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:27982:112: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 27982 | SWIGINTERN VALUE _wrap_OBMol_set_hybridization_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13222:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13222 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13222:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13222 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_closure_bonds_perceived(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28002:112: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28002 | SWIGINTERN VALUE _wrap_OBMol_set_closure_bonds_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13229:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13229 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13229:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13229 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_hydrogens_added(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28022:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28022 | SWIGINTERN VALUE _wrap_OBMol_set_hydrogens_added(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_corrected_for_ph(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28042:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28042 | SWIGINTERN VALUE _wrap_OBMol_set_corrected_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_CopyOptions(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13278:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13278 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13278:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13278 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13280:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13280 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13280:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13280 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_spin_multiplicity_assigned(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28062:115: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28062 | SWIGINTERN VALUE _wrap_OBMol_set_spin_multiplicity_assigned(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13284:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13284 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13284:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13284 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13286:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13286 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13286:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13286 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_is_pattern_structure(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28083:109: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28083 | SWIGINTERN VALUE _wrap_OBMol_set_is_pattern_structure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_is_reaction(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28103:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28103 | SWIGINTERN VALUE _wrap_OBMol_set_is_reaction(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_set_periodic_mol(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28123:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28123 | SWIGINTERN VALUE _wrap_OBMol_set_periodic_mol(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_Convert(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13337:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13337 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13337:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13337 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13341:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13341 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13341:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13341 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_to_inertial_frame(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28227:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28227 | SWIGINTERN VALUE _wrap_OBMol_to_inertial_frame(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_translate(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28260:94: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28260 | SWIGINTERN VALUE _wrap_OBMol_translate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetFirstInput(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13431:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13431 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13431:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13431 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13435:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13435 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13435:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13435 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_delete_hydrogens(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28328:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28328 | SWIGINTERN VALUE _wrap_OBMol_delete_hydrogens(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_SetOneObjectOnly(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13488:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13488 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13488:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13488 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13492:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13492 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13492:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13492 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_add_hydrogens(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28417:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28417 | if (!_v) goto check_2; return _wrap_OBMol_add_hydrogens__SWIG_4(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28417:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28417 | if (!_v) goto check_2; return _wrap_OBMol_add_hydrogens__SWIG_4(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_add_new_hydrogens(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28476:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28476 | SWIGINTERN VALUE _wrap_OBMol_add_new_hydrogens(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_Write(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13560:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13560 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13560:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13560 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13562:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13562 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13562:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13562 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13566:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13566 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_strip_salts(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28503:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28503 | SWIGINTERN VALUE _wrap_OBMol_strip_salts(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13566:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13566 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13568:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13568 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13568:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13568 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_separate(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28529:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28529 | SWIGINTERN VALUE _wrap_OBMol_separate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_WriteString(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13605:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13605 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13605:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13605 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13607:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13607 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13607:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13607 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13611:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13611 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13611:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13611 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13613:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13613 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13613:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13613 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_copy_substructure(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28684:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28684 | SWIGINTERN VALUE _wrap_OBMol_copy_substructure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_Read(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13671:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13671 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13671 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13673:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13673 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13673:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13673 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13677:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13677 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13677:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13677 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13679:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13679 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13679:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13679 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_correct_for_ph(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28735:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28735 | SWIGINTERN VALUE _wrap_OBMol_correct_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_assign_spin_multiplicity(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28758:109: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28758 | SWIGINTERN VALUE _wrap_OBMol_assign_spin_multiplicity(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_center(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:28785:91: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 28785 | SWIGINTERN VALUE _wrap_OBMol_center(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBConversion_ReportNumberConverted(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13757:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13757 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13757:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13757 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13763:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13763 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13763:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13763 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13767:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13767 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13767:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13767 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_has_2d(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:29015:91: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 29015 | SWIGINTERN VALUE _wrap_OBMol_has_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/buildertest.cpp:15:21: warning: 'failed' defined but not used [-Wunused-variable] 15 | static unsigned int failed = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidue_SetNum(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13876:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13876 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13876 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13878:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13878 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13878 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13882:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13882 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13882:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13882 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13884:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 13884 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:13884:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 13884 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMol_get_energy(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:29254:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 29254 | SWIGINTERN VALUE _wrap_OBMol_get_energy(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBResidue_GetBonds(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14069:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14069 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14069:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14069 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14073:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14073 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14073:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14073 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ [ 86%] Building CXX object src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/obgui.dir/stdwx.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/src/GUI/stdwx.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRing__path_set(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:29642:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 29642 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:29642:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 29642 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRing_set_type__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:29766:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 29766 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:29766:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 29766 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBInternalCoord(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14448:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14448 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14448:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14448 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14452:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14452 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14452:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14452 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14454:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14454 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14454:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14454 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14458:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14458 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14458:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14458 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14460:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14460 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14460:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14460 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14462:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14462 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14462:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14462 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14466:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14466 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14466:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14466 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14468:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14468 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14468:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14468 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14470:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14470 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14470:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14470 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14476:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14476 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14476:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14476 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14478:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14478 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14478:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14478 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14480:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14480 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14480:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14480 | if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14488:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14488 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14488:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14488 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14490:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14490 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14490:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14490 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14492:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14492 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14492:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14492 | if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_SetType(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14671:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14671 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14671 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14673:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14673 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14673:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14673 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14677:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14677 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14677:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14677 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_SetVector(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14742:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14742 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14742:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14742 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14746:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14746 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14746:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14746 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14748:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14748 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14748:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14748 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14752:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14752 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14752:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14752 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_SetAromatic(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14803:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14803 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14803:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14803 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14807:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14807 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14807 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_SetInRing(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14833:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14833 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14833 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14837:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 14837 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:14837:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 14837 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_GetVector(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15075:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15075 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15075 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15079:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15079 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15079 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_GetDistance(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15242:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15242 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15242:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15242 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15244:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15244 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15244:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15244 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15248:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15248 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15248:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15248 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15250:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15250 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15250:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15250 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15254:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15254 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15254:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15254 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_GetAngle(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15293:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15293 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15293:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15293 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15295:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15295 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15295:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15295 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15297:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15297 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15297:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15297 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15301:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15301 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15301:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15301 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_ExplicitHydrogenCount(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15433:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15433 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15433:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15433 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15437:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15437 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15437:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15437 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBSmartsPattern(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30082:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 30082 | SWIGINTERN VALUE _wrap_new_OBSmartsPattern(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSmartsPattern_init__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30099:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 30099 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30099:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 30099 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSmartsPattern_init__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30113:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 30113 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30113:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 30113 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSmartsPattern_init(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30117:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 30117 | if (!_v) goto check_1; return _wrap_OBSmartsPattern_init__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBAtom_HasAlphaBetaUnsat(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15725:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15725 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15725:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15725 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15729:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15729 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15729:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15729 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30117:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 30117 | if (!_v) goto check_1; return _wrap_OBSmartsPattern_init__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_SetLength(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15919:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15919 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15919 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15925:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15925 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15925 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15927:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15927 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15927:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15927 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSmartsMatcher_match(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30568:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 30568 | SWIGINTERN VALUE _wrap_OBSmartsMatcher_match(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBSSMatch_match(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30643:94: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 30643 | SWIGINTERN VALUE _wrap_OBSSMatch_match(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_AliasData_set_alias__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30697:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 30697 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30697:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 30697 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_SetAromatic(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15976:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15976 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15976 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15980:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 15980 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:15980:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 15980 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_AliasData_set_alias(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30712:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 30712 | if (!_v) goto check_1; return _wrap_AliasData_set_alias__SWIG_0(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30712:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 30712 | if (!_v) goto check_1; return _wrap_AliasData_set_alias__SWIG_0(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_AliasData_get_alias(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30734:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 30734 | SWIGINTERN VALUE _wrap_AliasData_get_alias(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_SetWedge(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16006:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16006 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16006:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16006 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16010:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16010 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16010:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16010 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFingerprint_find_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30811:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 30811 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30811:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 30811 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_SetHash(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16036:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16036 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16036:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16036 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16040:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16040 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16040 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFingerprint_get_bit(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30853:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 30853 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30853:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 30853 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_SetWedgeOrHash(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16066:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16066 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16066:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16066 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16070:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16070 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFingerprint_get_fingerprint(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30912:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 30912 | SWIGINTERN VALUE _wrap_OBFingerprint_get_fingerprint(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16070:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16070 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFingerprint_tanimoto__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30957:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 30957 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30957:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 30957 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30958:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 30958 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30958:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 30958 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFingerprint_tanimoto__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30973:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 30973 | if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30973:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 30973 | if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFingerprint_tanimoto(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30977:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 30977 | if (!_v) goto check_1; return _wrap_OBFingerprint_tanimoto__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_SetInRing(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16096:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16096 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16096:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16096 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16100:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16100 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16100:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16100 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30977:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 30977 | if (!_v) goto check_1; return _wrap_OBFingerprint_tanimoto__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFingerprint_find_fingerprint(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30996:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 30996 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:30996:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 30996 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_FptIndexHeader_fpid_set(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31063:3: warning: this 'else' clause does not guard... [-Wmisleading-indentation] 31063 | else memset(arg1->fpid,0,15*sizeof(char)); return Qnil; fail: return Qnil; } | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31063:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'else' 31063 | else memset(arg1->fpid,0,15*sizeof(char)); return Qnil; fail: return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_SetClosure(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16126:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16126 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16126:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16126 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16130:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16130 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16130:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16130 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_FptIndexHeader_datafilename_set(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31100:3: warning: this 'else' clause does not guard... [-Wmisleading-indentation] 31100 | else memset(arg1->datafilename,0,256*sizeof(char)); return Qnil; fail: return Qnil; } | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31100:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'else' 31100 | else memset(arg1->datafilename,0,256*sizeof(char)); return Qnil; fail: return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_GetBeginAtom(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16206:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16206 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16206:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16206 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16210:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16210 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16210:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16210 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_GetEndAtom(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16235:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16235 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16235:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16235 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16239:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16239 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16239:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16239 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_FastSearchIndexer(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31439:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 31439 | if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } } if (!_v) goto check_2; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31439:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 31439 | if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } } if (!_v) goto check_2; | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBDescriptor__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31490:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 31490 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31490:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 31490 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBDescriptor__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31509:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 31509 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31509:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 31509 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBDescriptor(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31510:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 31510 | SWIGINTERN VALUE _wrap_new_OBDescriptor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_find_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31523:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 31523 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31523:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 31523 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_predict(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31550:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 31550 | SWIGINTERN VALUE _wrap_OBDescriptor_predict(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_predict_and_save(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31583:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 31583 | SWIGINTERN VALUE _wrap_OBDescriptor_predict_and_save(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_get_string_value(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31627:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 31627 | SWIGINTERN VALUE _wrap_OBDescriptor_get_string_value(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_compare(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31676:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 31676 | SWIGINTERN VALUE _wrap_OBDescriptor_compare(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_display__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31702:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 31702 | if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31702:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 31702 | if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31703:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 31703 | if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31703:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 31703 | if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_display__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31721:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 31721 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31721:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 31721 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_display(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31722:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 31722 | SWIGINTERN VALUE _wrap_OBDescriptor_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBond_IsRotor(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16335:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16335 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16335:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16335 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16339:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16339 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16339:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16339 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_order(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31759:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 31759 | if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[2], NULL); _v = SWIG_CheckState(res); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31759:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 31759 | if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[2], NULL); _v = SWIG_CheckState(res); } } | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31760:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 31760 | if (!_v) goto check_1; return _wrap_OBDescriptor_order__SWIG_0(nargs, args, self);} check_1: if (argc == 3) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31760:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 31760 | if (!_v) goto check_1; return _wrap_OBDescriptor_order__SWIG_0(nargs, args, self);} check_1: if (argc == 3) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_add_properties(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31791:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 31791 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31791:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 31791 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBDescriptor_delete_properties(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31804:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 31804 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31804:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 31804 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFFParameter__a_set(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31940:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 31940 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31940:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 31940 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFFParameter__b_set(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31961:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 31961 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31961:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 31961 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFFParameter__c_set(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31982:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 31982 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:31982:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 31982 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBMol(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16458:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16458 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16458:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16458 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFFParameter__d_set(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:32003:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 32003 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:32003:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 32003 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFFParameter__ipar_set(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:32025:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 32025 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:32025:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 32025 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBFFParameter__dpar_set(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:32048:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 32048 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:32048:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 32048 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_AddAtom(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16558:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16558 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16558:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16558 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16560:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16560 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16560:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16560 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16564:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16564 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16564:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16564 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16566:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16566 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16566:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16566 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_AddBond(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16656:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16656 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16656:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16656 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16658:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16658 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16658:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16658 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16662:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16662 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16662:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16662 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16671:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16671 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16671 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16681:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16681 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16681:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16681 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_NewAtom(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16731:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16731 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16731:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16731 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16735:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16735 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16735 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16737:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16737 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16737:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16737 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_NewBond(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16764:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16764 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16764:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16764 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16768:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16768 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16768:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16768 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16770:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16770 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16770:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16770 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_DeleteAtom(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16812:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16812 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16812:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16812 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_find_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33176:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 33176 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16814:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16814 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16814 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16818:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16818 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33176:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 33176 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16818 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16820:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16820 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16820:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16820 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_find_force_field__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33201:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 33201 | if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33201:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 33201 | if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_find_force_field__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33210:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 33210 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33210:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 33210 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_DeleteBond(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16857:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16857 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16857:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16857 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16859:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16859 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16859:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16859 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16863:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16863 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16863:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16863 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16865:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16865 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16865:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16865 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_DeleteResidue(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16902:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16902 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16902:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16902 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16904:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16904 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16904:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16904 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16908:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16908 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16908:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16908 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16910:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16910 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16910:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16910 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_EndModify(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16942:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16942 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16942:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16942 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16946:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16946 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16946 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_setup(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33280:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 33280 | SWIGINTERN VALUE _wrap_OBForceField_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_GetTitle(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16998:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 16998 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:16998:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 16998 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17002:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17002 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17002:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17002 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_get_grid(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33469:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 33469 | if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33469:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 33469 | if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_NumRotors(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17061:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17061 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17061:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17061 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17065:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17065 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17065:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17065 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_GetBond(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17160:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17160 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17160:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17160 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17166:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17166 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17166:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17166 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17168:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17168 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17168 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17170:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17170 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17170:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17170 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17174:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17174 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17174:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17174 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_get_gradient(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33674:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 33674 | SWIGINTERN VALUE _wrap_OBForceField_get_gradient(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_energy(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33708:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 33708 | SWIGINTERN VALUE _wrap_OBForceField_energy(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_e_bond(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33733:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 33733 | SWIGINTERN VALUE _wrap_OBForceField_e_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_e_angle(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33758:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 33758 | SWIGINTERN VALUE _wrap_OBForceField_e_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_e_str_bnd(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33783:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 33783 | SWIGINTERN VALUE _wrap_OBForceField_e_str_bnd(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_e_torsion(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33808:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 33808 | SWIGINTERN VALUE _wrap_OBForceField_e_torsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_GetTorsion(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17246:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17246 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17246:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17246 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_e_oop(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33833:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 33833 | SWIGINTERN VALUE _wrap_OBForceField_e_oop(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17248:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17248 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17248:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17248 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17250:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17250 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17250:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17250 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17252:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17252 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17252:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17252 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17254:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17254 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_e_vdw(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33858:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 33858 | SWIGINTERN VALUE _wrap_OBForceField_e_vdw(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17254:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17254 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17258:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17258 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ [ 86%] Building CXX object test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_e_electrostatic(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33883:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 33883 | SWIGINTERN VALUE _wrap_OBForceField_e_electrostatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/canonconsistenttest.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17258:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17258 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_obfflog(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33966:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 33966 | if (!_v) goto check_1; return _wrap_OBForceField_obfflog__SWIG_0(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:33966:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 33966 | if (!_v) goto check_1; return _wrap_OBForceField_obfflog__SWIG_0(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_systematic_rotor_search(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34005:115: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34005 | SWIGINTERN VALUE _wrap_OBForceField_systematic_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_systematic_rotor_search_initialize(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34047:9: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34047 | VALUE argv[4]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 4) SWIG_fail; for (ii = 1; (ii < argc); ++ii) { | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_systematic_rotor_search_next_conformer(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34076:9: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34076 | VALUE argv[3]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 3) SWIG_fail; for (ii = 1; (ii < argc); ++ii) { | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_GetSpacedFormula(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17365:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17365 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17365:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17365 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17369:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17369 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17369:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17369 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17375:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17375 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17375:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17375 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17382:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17382 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17382:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17382 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_random_rotor_search(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34119:111: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34119 | SWIGINTERN VALUE _wrap_OBForceField_random_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_random_rotor_search_initialize(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34165:9: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34165 | VALUE argv[5]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 5) SWIG_fail; for (ii = 1; (ii < argc); ++ii) { | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_GetMolWt(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17422:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17422 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17422:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17422 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17426:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17426 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17426:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17426 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_random_rotor_search_next_conformer(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34194:9: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34194 | VALUE argv[3]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 3) SWIG_fail; for (ii = 1; (ii < argc); ++ii) { | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_GetExactMass(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17454:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17454 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17454:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17454 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17458:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17458 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17458:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17458 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_weighted_rotor_search(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34227:113: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34227 | SWIGINTERN VALUE _wrap_OBForceField_weighted_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_line_search(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34289:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 34289 | if (!_v) goto check_1; return _wrap_OBForceField_line_search__SWIG_0(nargs, args, self);} check_1: if (argc == 3) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34289:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 34289 | if (!_v) goto check_1; return _wrap_OBForceField_line_search__SWIG_0(nargs, args, self);} check_1: if (argc == 3) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_steepest_descent(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34355:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34355 | SWIGINTERN VALUE _wrap_OBForceField_steepest_descent(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetTitle(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17555:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17555 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17555:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17555 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17557:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17557 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17557:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17557 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17561:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17561 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17561:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17561 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_steepest_descent_initialize(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34406:119: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34406 | SWIGINTERN VALUE _wrap_OBForceField_steepest_descent_initialize(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_conjugate_gradients(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34463:111: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34463 | SWIGINTERN VALUE _wrap_OBForceField_conjugate_gradients(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_conjugate_gradients_initialize(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34515:9: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34515 | VALUE argv[5]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 5) SWIG_fail; for (ii = 1; (ii < argc); ++ii) { | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetAromaticPerceived(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17672:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17672 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17672:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17672 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17676:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17676 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17676:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17676 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_molecular_dynamics_take_nsteps(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34593:9: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34593 | VALUE argv[6]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 6) SWIG_fail; for (ii = 1; (ii < argc); ++ii) { | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetSSSRPerceived(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17702:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17702 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17702:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17702 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17706:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17706 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17706:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17706 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_ignore_calculation(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34690:110: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34690 | SWIGINTERN VALUE _wrap_OBForceField_ignore_calculation(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetLSSRPerceived(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17732:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17732 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17732 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17736:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17736 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17736:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17736 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetRingAtomsAndBondsPerceived(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17763:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17763 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17763:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17763 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17767:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17767 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17767:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17767 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetAtomTypesPerceived(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17794:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17794 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17794:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17794 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17798:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17798 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17798:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17798 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_vector_angle_derivative(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34879:115: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34879 | SWIGINTERN VALUE _wrap_OBForceField_vector_angle_derivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetRingTypesPerceived(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17825:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17825 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_vector_oopderivative(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:34947:112: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 34947 | SWIGINTERN VALUE _wrap_OBForceField_vector_oopderivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17825:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17825 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17829:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17829 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17829:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17829 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBForceField_vector_torsion_derivative(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35015:117: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 35015 | SWIGINTERN VALUE _wrap_OBForceField_vector_torsion_derivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetChainsPerceived(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17856:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17856 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17856:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17856 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17860:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17860 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17860:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17860 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetChiralityPerceived(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17887:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17887 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17887 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17891:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17891 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17891:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17891 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetPartialChargesPerceived(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17918:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17918 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17918:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17918 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17922:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17922 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17922:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17922 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetHybridizationPerceived(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17949:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17949 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17949:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17949 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBuilder_build(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35247:94: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 35247 | SWIGINTERN VALUE _wrap_OBBuilder_build(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17953:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17953 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17953:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17953 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBuilder_add_ring_fragment(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35284:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 35284 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35284:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 35284 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBuilder_get_new_bond_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35323:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 35323 | SWIGINTERN VALUE _wrap_OBBuilder_get_new_bond_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBuilder_connect(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35404:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 35404 | if (!_v) goto check_2; return _wrap_OBBuilder_connect__SWIG_1(nargs, args, self);} check_2: if (argc == 4) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35404:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 35404 | if (!_v) goto check_2; return _wrap_OBBuilder_connect__SWIG_1(nargs, args, self);} check_2: if (argc == 4) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetClosureBondsPerceived(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17980:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17980 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17980:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17980 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17984:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 17984 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:17984:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 17984 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBBuilder_correct_stereo_atoms(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35459:109: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 35459 | SWIGINTERN VALUE _wrap_OBBuilder_correct_stereo_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetHydrogensAdded(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18010:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18010 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18010:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18010 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBOp_find_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35520:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 35520 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35520:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 35520 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBOp_do__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35544:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 35544 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35544:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 35544 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18014:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18014 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18014:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18014 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBOp_do__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35565:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 35565 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35565:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 35565 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBOp_do__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35580:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 35580 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35580:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 35580 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBOp_do(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35592:86: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 35592 | SWIGINTERN VALUE _wrap_OBOp_do(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetCorrectedForPH(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18040:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18040 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18040 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18044:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18044 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18044:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18044 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBRotorRule(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35691:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 35691 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35691:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 35691 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetSpinMultiplicityAssigned(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18071:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18071 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18071:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18071 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18075:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18075 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18075 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetIsPatternStructure(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18102:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18102 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18102:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18102 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18106:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18106 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18106:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18106 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetIsReaction(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18132:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18132 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18132:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18132 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotor_set_rotor(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:35986:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 35986 | SWIGINTERN VALUE _wrap_OBRotor_set_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18136:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18136 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18136:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18136 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotor_set(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:36059:90: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 36059 | SWIGINTERN VALUE _wrap_OBRotor_set(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[7]; int ii; argc = nargs + 1; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_SetPeriodicMol(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18162:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18162 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotor_get_dihedral_atoms(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:36109:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 36109 | SWIGINTERN VALUE _wrap_OBRotor_get_dihedral_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18162:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18162 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18166:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18166 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18166:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18166 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_RenumberAtoms(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18246:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18246 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18246:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18246 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18252:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18252 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { { std::vector< int >* v; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotorList_setup(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:36368:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 36368 | SWIGINTERN VALUE _wrap_OBRotorList_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18252:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18252 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { { std::vector< int >* v; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotorList_find_rotors(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:36445:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 36445 | SWIGINTERN VALUE _wrap_OBRotorList_find_rotors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_RotorDigit(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:36602:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 36602 | SWIGINTERN VALUE _wrap_new_RotorDigit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_ToInertialFrame(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18292:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18292 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18292:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18292 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18296:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18296 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18296:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18296 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_Translate(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18335:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18335 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18335:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18335 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotamerList_setup(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:36782:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 36782 | SWIGINTERN VALUE _wrap_OBRotamerList_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18337:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18337 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18337:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18337 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18341:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18341 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18341:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18341 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18343:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18343 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18343:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18343 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotamerList_add_rotamer(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:36856:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 36856 | if (!_v) goto check_3; return _wrap_OBRotamerList_add_rotamer__SWIG_3(nargs, args, self);} check_3: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:36856:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 36856 | if (!_v) goto check_3; return _wrap_OBRotamerList_add_rotamer__SWIG_3(nargs, args, self);} check_3: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_Rotate(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18386:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18386 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18386:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18386 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18392:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18392 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18392:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18392 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18398:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18398 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18398:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18398 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBRotamerList_set_base_coordinate_sets(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:36985:117: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 36985 | SWIGINTERN VALUE _wrap_OBRotamerList_set_base_coordinate_sets(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolAtomIter(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37060:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 37060 | if (!_v) goto check_2; return _wrap_new_OBMolAtomIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37060:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 37060 | if (!_v) goto check_2; return _wrap_new_OBMolAtomIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_inc(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37100:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 37100 | SWIGINTERN VALUE _wrap_OBMolAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_DeleteHydrogens(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18435:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18435 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18435:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18435 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18439:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18439 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18439:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18439 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18441:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18441 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18441:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18441 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37270:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 37270 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37270:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 37270 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_set_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37274:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 37274 | if (!_v) goto check_1; return _wrap_OBMolAtomIter_set_type__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37274:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 37274 | if (!_v) goto check_1; return _wrap_OBMolAtomIter_set_type__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_set_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37320:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 37320 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_set_aromatic(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37373:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 37373 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_AddHydrogens(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18537:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18537 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18537 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18541:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18541 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18541:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18541 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18543:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18543 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18543:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18543 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18547:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18547 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18547:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18547 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_set_in_ring(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37394:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 37394 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18553:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18553 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18553:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18553 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18561:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18561 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18561:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18561 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_AddNewHydrogens(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18637:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18637 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18637:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18637 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18643:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18643 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18643:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18643 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18651:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18651 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18651:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18651 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_get_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37632:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 37632 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_StripSalts(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18684:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18684 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18684:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18684 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18688:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18688 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18688:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18688 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18690:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18690 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18690:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18690 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_get_distance(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37811:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 37811 | if (!_v) goto check_2; return _wrap_OBMolAtomIter_get_distance__SWIG_2(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37811:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 37811 | if (!_v) goto check_2; return _wrap_OBMolAtomIter_get_distance__SWIG_2(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_Separate(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18721:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18721 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18721:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18721 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18725:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18725 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18725:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18725 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_get_angle(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37849:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 37849 | if (!_v) goto check_1; return _wrap_OBMolAtomIter_get_angle__SWIG_1(nargs, args, self);} check_1: if (argc == 3) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37849:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 37849 | if (!_v) goto check_1; return _wrap_OBMolAtomIter_get_angle__SWIG_1(nargs, args, self);} check_1: if (argc == 3) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:37973:116: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 37973 | SWIGINTERN VALUE _wrap_OBMolAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_CopySubstructure(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18880:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18880 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18880:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18880 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18882:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18882 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18882:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18882 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18884:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18884 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18884:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18884 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18888:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18888 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18888:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18888 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18890:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18890 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18890:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18890 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18892:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18892 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18892:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18892 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18894:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18894 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18894:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18894 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18898:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18898 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18898:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18898 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18900:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18900 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18900:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18900 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18902:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18902 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18902:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18902 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18904:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18904 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18904:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18904 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38271:113: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 38271 | SWIGINTERN VALUE _wrap_OBMolAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18906:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18906 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18906:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18906 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18910:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18910 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18910:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18910 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18912:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18912 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18912 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18914:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18914 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18914:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18914 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_matches_smarts(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38350:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 38350 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38350:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 38350 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18916:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18916 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18916:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18916 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18918:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18918 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18918:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18918 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18920:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18920 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18920:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18920 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18924:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18924 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18924:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18924 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18926:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18926 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18926:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18926 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18928:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18928 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18928:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18928 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18930:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18930 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_get_title(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38406:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 38406 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18930:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18930 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18932:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18932 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18932:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18932 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18934:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18934 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18934:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18934 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18936:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18936 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18936:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18936 | if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38436:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 38436 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38436:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 38436 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38448:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 38448 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38448:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 38448 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_has_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38463:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 38463 | if (!_v) goto check_1; return _wrap_OBMolAtomIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38463:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 38463 | if (!_v) goto check_1; return _wrap_OBMolAtomIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38465:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 38465 | if (!_v) goto check_2; return _wrap_OBMolAtomIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38465:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 38465 | if (!_v) goto check_2; return _wrap_OBMolAtomIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38517:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 38517 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38517:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 38517 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_delete_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38522:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 38522 | if (!_v) goto check_1; return _wrap_OBMolAtomIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_CorrectForPH(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18987:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18987 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18987:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18987 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38522:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 38522 | if (!_v) goto check_1; return _wrap_OBMolAtomIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18991:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 18991 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:18991:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 18991 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38527:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 38527 | if (!_v) goto check_3; return _wrap_OBMolAtomIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38527:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 38527 | if (!_v) goto check_3; return _wrap_OBMolAtomIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_AssignSpinMultiplicity(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19020:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19020 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19020:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19020 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19024:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19024 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19024:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19024 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38576:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 38576 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38576:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 38576 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_Center(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19056:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19056 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19056:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19056 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19060:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19060 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19060:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19060 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38588:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 38588 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38588:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 38588 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolAtomDFSIter(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38710:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 38710 | if (!_v) goto check_2; return _wrap_new_OBMolAtomDFSIter__SWIG_2(nargs, args, self);} check_2: if (argc == 1) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38710:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 38710 | if (!_v) goto check_2; return _wrap_new_OBMolAtomDFSIter__SWIG_2(nargs, args, self);} check_2: if (argc == 1) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_FindChildren(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19152:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19152 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19152:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19152 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19154:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19154 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19154:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19154 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19161:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19161 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19161:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19161 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19165:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19165 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_inc(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38753:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 38753 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19165:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19165 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19167:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19167 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19167:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19167 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_set_type__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38926:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 38926 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38926:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 38926 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_set_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38930:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 38930 | if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_set_type__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38930:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 38930 | if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_set_type__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_Has2D(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19304:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19304 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19304:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19304 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19308:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19308 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19308:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19308 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_set_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:38977:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 38977 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_set_aromatic(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:39031:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 39031 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_set_in_ring(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:39053:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 39053 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_get_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:39291:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 39291 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_get_distance(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:39470:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 39470 | if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_get_distance__SWIG_2(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:39470:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 39470 | if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_get_distance__SWIG_2(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_get_angle(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:39508:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 39508 | if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_get_angle__SWIG_1(nargs, args, self);} check_1: if (argc == 3) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBMol_GetEnergy(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19566:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19566 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19566:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19566 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19570:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19570 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19570:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19570 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:39508:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 39508 | if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_get_angle__SWIG_1(nargs, args, self);} check_1: if (argc == 3) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_explicit_hydrogen_count(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:39632:119: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 39632 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_ThrowError(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19793:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 19793 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:19793:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 19793 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_has_alpha_beta_unsat(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:39930:116: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 39930 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_matches_smarts(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40009:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 40009 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40009:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 40009 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_get_title(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40065:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 40065 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_has_data__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40095:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 40095 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40095:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 40095 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_has_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40107:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 40107 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40107:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 40107 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_has_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40122:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 40122 | if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40122:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 40122 | if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40124:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 40124 | if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40124:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 40124 | if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40176:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 40176 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40176:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 40176 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBRing(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20006:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20006 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20006:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20006 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_delete_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40181:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 40181 | if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40181:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 40181 | if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40186:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 40186 | if (!_v) goto check_3; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40186:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 40186 | if (!_v) goto check_3; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20010:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20010 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20010:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20010 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20016:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20016 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20016:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20016 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_get_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40235:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 40235 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40235:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 40235 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomDFSIter_get_data__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40247:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 40247 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40247:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 40247 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRing_SetType(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20072:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20072 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20072:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20072 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20074:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20074 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20074:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20074 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20078:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20078 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20078:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20078 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolAtomBFSIter(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40369:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 40369 | if (!_v) goto check_2; return _wrap_new_OBMolAtomBFSIter__SWIG_2(nargs, args, self);} check_2: if (argc == 1) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40369:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 40369 | if (!_v) goto check_2; return _wrap_new_OBMolAtomBFSIter__SWIG_2(nargs, args, self);} check_2: if (argc == 1) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_inc(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40412:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 40412 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRing_IsMember(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20124:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20124 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20124:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20124 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20126:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20126 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20126:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20126 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20130:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20130 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20130:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20130 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20132:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20132 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20132:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20132 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_set_type__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40585:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 40585 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40585:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 40585 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_set_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40589:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 40589 | if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_set_type__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40589:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 40589 | if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_set_type__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_set_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40636:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 40636 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_set_aromatic(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40690:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 40690 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_set_in_ring(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40712:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 40712 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBSmartsPattern_Init(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20394:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20394 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20394:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20394 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_get_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:40950:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 40950 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20396:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20396 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20396:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20396 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20400:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20400 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20400:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20400 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_get_distance(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41129:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 41129 | if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_get_distance__SWIG_2(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41129:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 41129 | if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_get_distance__SWIG_2(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_get_angle(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41167:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 41167 | if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_get_angle__SWIG_1(nargs, args, self);} check_1: if (argc == 3) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41167:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 41167 | if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_get_angle__SWIG_1(nargs, args, self);} check_1: if (argc == 3) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBSmartsPattern_Match(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20588:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20588 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20588:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20588 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20590:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20590 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20590:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20590 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20594:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20594 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20594 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20596:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20596 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20596:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20596 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20602:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20602 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20602:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20602 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20604:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20604 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20604:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20604 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_explicit_hydrogen_count(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41291:119: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 41291 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20610:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20610 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20610:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20610 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20612:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20612 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20612:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20612 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_has_alpha_beta_unsat(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41589:116: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 41589 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBSmartsPattern_RestrictedMatch(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20723:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20723 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20723 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20725:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20725 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20725:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20725 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20731:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20731 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20731:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20731 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20733:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20733 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20733:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20733 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_matches_smarts(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41668:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 41668 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20739:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20739 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41668:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 41668 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20739:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20739 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20741:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20741 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20741 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20749:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20749 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20749:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20749 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20751:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20751 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_get_title(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41724:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 41724 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20751:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20751 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_has_data__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41754:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 41754 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41754:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 41754 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_has_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41766:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 41766 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41766:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 41766 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_has_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41781:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 41781 | if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41781:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 41781 | if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41783:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 41783 | if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41783:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 41783 | if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41835:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 41835 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41835:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 41835 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_delete_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41840:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 41840 | if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41840:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 41840 | if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41845:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 41845 | if (!_v) goto check_3; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41845:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 41845 | if (!_v) goto check_3; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBSmartsMatcher_match(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20883:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20883 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20883 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20885:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20885 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20885:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20885 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20887:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20887 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20887 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_get_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41894:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 41894 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20893:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20893 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20893:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20893 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20895:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20895 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20895:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20895 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20897:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20897 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20897:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20897 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41894:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 41894 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolAtomBFSIter_get_data__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41906:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 41906 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:41906:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 41906 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBSSMatch_Match(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20957:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20957 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20957:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20957 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20963:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 20963 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:20963:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 20963 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolBondBFSIter(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42028:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 42028 | if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(nargs, args, self);} check_2: if (argc == 1) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42028:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 42028 | if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(nargs, args, self);} check_2: if (argc == 1) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_inc(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42071:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 42071 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_AliasData_SetAlias(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21017:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21017 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21017:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21017 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21019:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21019 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21019:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21019 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21023:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21023 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21023:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21023 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_AliasData_GetAlias(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21052:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21052 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21052 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21056:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21056 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21056:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21056 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_set_length(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42204:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 42204 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_set_aromatic(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42248:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 42248 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_set_wedge(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42270:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 42270 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_set_hash(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42292:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 42292 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new_OBDescriptor(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21153:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21153 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21153:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21153 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_set_wedge_or_hash(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42314:113: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 42314 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_set_in_ring(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42336:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 42336 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_set_closure(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42358:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 42358 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBDescriptor_Predict(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21200:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21200 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21200:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21200 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21202:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21202 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21202:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21202 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21206:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21206 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_get_begin_atom(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42430:110: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 42430 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21206:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21206 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21208:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21208 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21208:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21208 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_get_end_atom(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42454:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 42454 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21210:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21210 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21210:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21210 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_is_rotor(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42552:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 42552 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBDescriptor_PredictAndSave(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21245:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21245 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21245:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21245 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21247:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21247 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21247:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21247 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21251:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21251 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21251:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21251 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21253:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21253 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21253:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21253 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21255:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21255 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21255:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21255 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBDescriptor_GetStringValue(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21301:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21301 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21301:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21301 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21303:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21303 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21303:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21303 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21305:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21305 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21305 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21309:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21309 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21309:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21309 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21311:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21311 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21311:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21311 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21313:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21313 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21313:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21313 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21315:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21315 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21315:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21315 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_get_title(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42717:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 42717 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_has_data__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42747:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 42747 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42747:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 42747 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_has_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42759:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 42759 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42759:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 42759 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_has_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42774:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 42774 | if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42774:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 42774 | if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42776:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 42776 | if (!_v) goto check_2; return _wrap_OBMolBondBFSIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42776:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 42776 | if (!_v) goto check_2; return _wrap_OBMolBondBFSIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBDescriptor_Compare(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21367:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21367 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21367:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21367 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42828:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 42828 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42828:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 42828 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_delete_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42833:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 42833 | if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21369:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21369 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21369:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21369 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21371:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21371 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21371:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21371 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21377:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21377 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21377:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21377 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21379:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21379 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21379:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21379 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21381:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21381 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21381:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21381 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21385:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21385 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21385:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21385 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42833:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 42833 | if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42838:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 42838 | if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42838:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 42838 | if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBDescriptor_Display__SWIG_0(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21409:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21409 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21409:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21409 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21410:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21410 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21410:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21410 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); } } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_get_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42887:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 42887 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42887:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 42887 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondBFSIter_get_data__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42899:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 42899 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:42899:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 42899 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBDescriptor_Display(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21432:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21432 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21432:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21432 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21434:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21434 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21434:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21434 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21440:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21440 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21440:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21440 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21442:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21442 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21442:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21442 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBDescriptor_Order(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21481:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21481 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21481:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21481 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21489:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21489 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21489:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21489 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21491:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21491 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21491:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21491 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21493:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 21493 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:21493:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 21493 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolBondIter(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43008:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 43008 | if (!_v) goto check_2; return _wrap_new_OBMolBondIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43008:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 43008 | if (!_v) goto check_2; return _wrap_new_OBMolBondIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_inc(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43048:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 43048 | SWIGINTERN VALUE _wrap_OBMolBondIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_set_length(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43170:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 43170 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_set_aromatic(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43213:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 43213 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_set_wedge(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43234:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 43234 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_set_hash(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43255:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 43255 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_set_wedge_or_hash(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43276:110: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 43276 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_set_in_ring(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43297:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 43297 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_set_closure(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43318:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 43318 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_get_begin_atom(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43390:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 43390 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_get_end_atom(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43414:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 43414 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_is_rotor(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43512:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 43512 | SWIGINTERN VALUE _wrap_OBMolBondIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_get_title(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43677:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 43677 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_has_data__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43707:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 43707 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43707:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 43707 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_has_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43719:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 43719 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43719:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 43719 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_has_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43734:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 43734 | if (!_v) goto check_1; return _wrap_OBMolBondIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43734:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 43734 | if (!_v) goto check_1; return _wrap_OBMolBondIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43736:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 43736 | if (!_v) goto check_2; return _wrap_OBMolBondIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43736:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 43736 | if (!_v) goto check_2; return _wrap_OBMolBondIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_delete_data__SWIG_3(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43788:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 43788 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43788:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 43788 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_delete_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43793:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 43793 | if (!_v) goto check_1; return _wrap_OBMolBondIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43793:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 43793 | if (!_v) goto check_1; return _wrap_OBMolBondIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43798:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 43798 | if (!_v) goto check_3; return _wrap_OBMolBondIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43798:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 43798 | if (!_v) goto check_3; return _wrap_OBMolBondIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_get_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43847:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 43847 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43847:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 43847 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolBondIter_get_data__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43859:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 43859 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43859:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 43859 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBAtomAtomIter(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43970:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 43970 | if (!_v) goto check_2; return _wrap_new_OBAtomAtomIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:43970:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 43970 | if (!_v) goto check_2; return _wrap_new_OBAtomAtomIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_inc(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:44011:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 44011 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:44173:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 44173 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:44173:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 44173 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_set_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:44177:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 44177 | if (!_v) goto check_1; return _wrap_OBAtomAtomIter_set_type__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:44177:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 44177 | if (!_v) goto check_1; return _wrap_OBAtomAtomIter_set_type__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_set_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:44224:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 44224 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_set_aromatic(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:44277:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 44277 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_set_in_ring(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:44298:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 44298 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_get_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:44536:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 44536 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_get_distance(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:44715:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 44715 | if (!_v) goto check_2; return _wrap_OBAtomAtomIter_get_distance__SWIG_2(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:44715:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 44715 | if (!_v) goto check_2; return _wrap_OBAtomAtomIter_get_distance__SWIG_2(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_get_angle(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:44753:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 44753 | if (!_v) goto check_1; return _wrap_OBAtomAtomIter_get_angle__SWIG_1(nargs, args, self);} check_1: if (argc == 3) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:44753:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 44753 | if (!_v) goto check_1; return _wrap_OBAtomAtomIter_get_angle__SWIG_1(nargs, args, self);} check_1: if (argc == 3) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:44877:117: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 44877 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45175:114: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 45175 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_matches_smarts(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45254:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 45254 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45254:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 45254 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_get_title(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45310:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 45310 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45340:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 45340 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45340:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 45340 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45352:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 45352 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45352:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 45352 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_has_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45367:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 45367 | if (!_v) goto check_1; return _wrap_OBAtomAtomIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45367:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 45367 | if (!_v) goto check_1; return _wrap_OBAtomAtomIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45369:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 45369 | if (!_v) goto check_2; return _wrap_OBAtomAtomIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45369:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 45369 | if (!_v) goto check_2; return _wrap_OBAtomAtomIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45421:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 45421 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45421:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 45421 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_delete_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45426:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 45426 | if (!_v) goto check_1; return _wrap_OBAtomAtomIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45426:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 45426 | if (!_v) goto check_1; return _wrap_OBAtomAtomIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45431:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 45431 | if (!_v) goto check_3; return _wrap_OBAtomAtomIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45431:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 45431 | if (!_v) goto check_3; return _wrap_OBAtomAtomIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45480:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 45480 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45480:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 45480 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45492:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 45492 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45492:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 45492 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBAtomBondIter(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45603:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 45603 | if (!_v) goto check_2; return _wrap_new_OBAtomBondIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45603:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 45603 | if (!_v) goto check_2; return _wrap_new_OBAtomBondIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_inc(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45644:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 45644 | SWIGINTERN VALUE _wrap_OBAtomBondIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_FindForceField(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:22866:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22866 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:22866:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22866 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_set_length(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45767:104: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 45767 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_set_aromatic(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45810:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 45810 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_Setup(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:22938:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22938 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_set_wedge(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45831:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 45831 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_set_hash(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45852:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 45852 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:22938:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22938 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:22940:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22940 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:22940:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22940 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:22944:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22944 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:22944:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22944 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_set_wedge_or_hash(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45873:111: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 45873 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:22946:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 22946 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:22946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 22946 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_set_in_ring(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45894:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 45894 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_set_closure(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45915:105: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 45915 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_get_begin_atom(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:45987:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 45987 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_get_end_atom(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46011:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 46011 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_is_rotor(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46109:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 46109 | SWIGINTERN VALUE _wrap_OBAtomBondIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_get_title(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46274:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 46274 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_has_data__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46304:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 46304 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46304:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 46304 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_has_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46316:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 46316 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46316:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 46316 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_has_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46331:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 46331 | if (!_v) goto check_1; return _wrap_OBAtomBondIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46331:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 46331 | if (!_v) goto check_1; return _wrap_OBAtomBondIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46333:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 46333 | if (!_v) goto check_2; return _wrap_OBAtomBondIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46333:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 46333 | if (!_v) goto check_2; return _wrap_OBAtomBondIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_delete_data__SWIG_3(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46385:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 46385 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46385:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 46385 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_delete_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46390:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 46390 | if (!_v) goto check_1; return _wrap_OBAtomBondIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46390:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 46390 | if (!_v) goto check_1; return _wrap_OBAtomBondIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46395:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 46395 | if (!_v) goto check_3; return _wrap_OBAtomBondIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46395:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 46395 | if (!_v) goto check_3; return _wrap_OBAtomBondIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_get_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46444:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 46444 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46444:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 46444 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBAtomBondIter_get_data__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46456:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 46456 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46456:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 46456 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBResidueIter(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46565:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 46565 | if (!_v) goto check_2; return _wrap_new_OBResidueIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46565:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 46565 | if (!_v) goto check_2; return _wrap_new_OBResidueIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_inc(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46605:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 46605 | SWIGINTERN VALUE _wrap_OBResidueIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_set_name(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46673:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 46673 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46673:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 46673 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_set_num(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46696:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 46696 | if (!_v) goto check_1; return _wrap_OBResidueIter_set_num__SWIG_0(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46696:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 46696 | if (!_v) goto check_1; return _wrap_OBResidueIter_set_num__SWIG_0(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_GetGradient(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23355:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23355 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23355:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23355 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23357:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23357 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23357:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23357 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23361:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23361 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23361:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23361 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_get_bonds(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:46874:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 46874 | SWIGINTERN VALUE _wrap_OBResidueIter_get_bonds(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23363:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23363 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23363:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23363 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_Energy(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23400:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23400 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23400:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23400 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23404:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23404 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23404 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_get_title(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47078:102: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 47078 | SWIGINTERN VALUE _wrap_OBResidueIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_has_data__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47108:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 47108 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47108:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 47108 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_E_Bond(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23433:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23433 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_has_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47120:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 47120 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47120:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 47120 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_has_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47135:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 47135 | if (!_v) goto check_1; return _wrap_OBResidueIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47135:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 47135 | if (!_v) goto check_1; return _wrap_OBResidueIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47137:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 47137 | if (!_v) goto check_2; return _wrap_OBResidueIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47137:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 47137 | if (!_v) goto check_2; return _wrap_OBResidueIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_delete_data__SWIG_3(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47189:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 47189 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47189:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 47189 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_delete_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47194:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 47194 | if (!_v) goto check_1; return _wrap_OBResidueIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47194:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 47194 | if (!_v) goto check_1; return _wrap_OBResidueIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47199:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 47199 | if (!_v) goto check_3; return _wrap_OBResidueIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47199:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 47199 | if (!_v) goto check_3; return _wrap_OBResidueIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23433:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23433 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23437:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23437 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23437:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23437 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_E_Angle(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23466:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23466 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23466:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23466 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23470:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23470 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23470:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23470 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_get_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47248:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 47248 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47248:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 47248 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueIter_get_data__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47260:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 47260 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47260:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 47260 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_E_StrBnd(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23499:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23499 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23499:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23499 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23503:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23503 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23503:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23503 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBResidueAtomIter(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47373:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 47373 | if (!_v) goto check_2; return _wrap_new_OBResidueAtomIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47373:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 47373 | if (!_v) goto check_2; return _wrap_new_OBResidueAtomIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_E_Torsion(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23532:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23532 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23532:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23532 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23536:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23536 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23536:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23536 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_inc(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47415:100: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 47415 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_E_OOP(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23565:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23565 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23565:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23565 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23569:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23569 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23569:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23569 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_E_VDW(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23598:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23598 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23598:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23598 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23602:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23602 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23602:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23602 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_E_Electrostatic(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23631:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23631 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23631:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23631 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23635:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23635 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23635:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23635 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47583:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 47583 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47583:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 47583 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_set_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47587:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 47587 | if (!_v) goto check_1; return _wrap_OBResidueAtomIter_set_type__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47587:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 47587 | if (!_v) goto check_1; return _wrap_OBResidueAtomIter_set_type__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_set_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47634:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 47634 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_OBFFLog(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23724:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23724 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23724:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23724 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23726:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23726 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23726:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23726 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23730:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23730 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23730 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_set_aromatic(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47688:109: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 47688 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_set_in_ring(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47710:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 47710 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_SystematicRotorSearch(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23778:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23778 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23778:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23778 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23782:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23782 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23782:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23782 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23784:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23784 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23784:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23784 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23788:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23788 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23788:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23788 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23790:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23790 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23790:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23790 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_SystematicRotorSearchInitialize(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23837:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23837 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_get_vector(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:47948:107: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 47948 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23837:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23837 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23841:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23841 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23841:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23841 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23843:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23843 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23843:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23843 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23847:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23847 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23847:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23847 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23849:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23849 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23849:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23849 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_get_distance(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48128:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 48128 | if (!_v) goto check_2; return _wrap_OBResidueAtomIter_get_distance__SWIG_2(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48128:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 48128 | if (!_v) goto check_2; return _wrap_OBResidueAtomIter_get_distance__SWIG_2(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_get_angle(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48166:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 48166 | if (!_v) goto check_1; return _wrap_OBResidueAtomIter_get_angle__SWIG_1(nargs, args, self);} check_1: if (argc == 3) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48166:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 48166 | if (!_v) goto check_1; return _wrap_OBResidueAtomIter_get_angle__SWIG_1(nargs, args, self);} check_1: if (argc == 3) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_SystematicRotorSearchNextConformer(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23880:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23880 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23880:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23880 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23884:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23884 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23884:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23884 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23886:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23886 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23886:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23886 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48290:120: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 48290 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_RandomRotorSearch(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23935:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23935 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23935:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23935 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23937:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23937 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23937:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23937 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23941:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23941 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23941:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23941 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23943:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23943 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23943:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23943 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23945:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23945 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23945:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23945 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23949:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23949 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23949:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23949 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23951:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23951 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23951:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23951 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23953:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 23953 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:23953:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 23953 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48588:117: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 48588 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_matches_smarts(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48667:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 48667 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48667:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 48667 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_get_title(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48723:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 48723 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_RandomRotorSearchInitialize(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24005:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24005 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48753:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 48753 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48753:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 48753 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24005:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24005 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24007:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24007 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24007:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24007 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24011:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24011 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48765:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 48765 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24011:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24011 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48765:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 48765 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24013:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24013 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24013:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24013 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24015:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24015 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24015 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24019:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24019 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24019:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24019 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_has_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48780:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 48780 | if (!_v) goto check_1; return _wrap_OBResidueAtomIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48780:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 48780 | if (!_v) goto check_1; return _wrap_OBResidueAtomIter_has_data__SWIG_2(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24021:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24021 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48782:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 48782 | if (!_v) goto check_2; return _wrap_OBResidueAtomIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24021:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24021 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48782:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 48782 | if (!_v) goto check_2; return _wrap_OBResidueAtomIter_has_data__SWIG_0(nargs, args, self);} check_2: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24023:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24023 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24023:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24023 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48834:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 48834 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48834:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 48834 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_delete_data(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48839:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 48839 | if (!_v) goto check_1; return _wrap_OBResidueAtomIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48839:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 48839 | if (!_v) goto check_1; return _wrap_OBResidueAtomIter_delete_data__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48844:6: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 48844 | if (!_v) goto check_3; return _wrap_OBResidueAtomIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48844:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 48844 | if (!_v) goto check_3; return _wrap_OBResidueAtomIter_delete_data__SWIG_0(nargs, args, self);} check_3: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48893:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 48893 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48893:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 48893 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBResidueAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48905:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 48905 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:48905:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 48905 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolAngleIter(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49016:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 49016 | if (!_v) goto check_2; return _wrap_new_OBMolAngleIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49016:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 49016 | if (!_v) goto check_2; return _wrap_new_OBMolAngleIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolTorsionIter(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49095:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 49095 | if (!_v) goto check_2; return _wrap_new_OBMolTorsionIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49095:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 49095 | if (!_v) goto check_2; return _wrap_new_OBMolTorsionIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_RandomRotorSearchNextConformer(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24054:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24054 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24054:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24054 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24058:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24058 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24058:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24058 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24060:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24060 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24060:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24060 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolPairIter(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49172:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 49172 | if (!_v) goto check_2; return _wrap_new_OBMolPairIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49172:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 49172 | if (!_v) goto check_2; return _wrap_new_OBMolPairIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBMolRingIter(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49247:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 49247 | if (!_v) goto check_2; return _wrap_new_OBMolRingIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49247:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 49247 | if (!_v) goto check_2; return _wrap_new_OBMolRingIter__SWIG_1(nargs, args, self);} check_2: if (argc == 1) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolRingIter_inc(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49287:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 49287 | SWIGINTERN VALUE _wrap_OBMolRingIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_WeightedRotorSearch(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24099:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24099 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24099:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24099 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolRingIter__path_set(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49343:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 49343 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24101:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24101 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24101 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24103:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24103 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24103:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24103 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24107:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24107 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24107:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24107 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24109:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24109 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24109:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24109 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24111:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24111 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24111 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49343:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 49343 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolRingIter_set_type__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49409:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 49409 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49409:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 49409 | if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBMolRingIter_set_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49426:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 49426 | if (!_v) goto check_1; return _wrap_OBMolRingIter_set_type__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49426:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 49426 | if (!_v) goto check_1; return _wrap_OBMolRingIter_set_type__SWIG_1(nargs, args, self);} check_1: if (argc == 2) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_LineSearch(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24171:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24171 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24171:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24171 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24173:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24173 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24173:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24173 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBChargeModel__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49546:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 49546 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24175:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24175 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24175:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24175 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49546:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 49546 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24179:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24179 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24179:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24179 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBChargeModel__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49565:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 49565 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return self; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49565:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 49565 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return self; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBChargeModel(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49566:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 49566 | SWIGINTERN VALUE _wrap_new_OBChargeModel(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBChargeModel_find_type(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49580:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 49580 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49580:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 49580 | if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBChargeModel_compute_charges__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49611:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 49611 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49611:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 49611 | if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBChargeModel_compute_charges(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49612:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 49612 | SWIGINTERN VALUE _wrap_OBChargeModel_compute_charges(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBPhModel_correct_for_ph(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49787:103: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 49787 | SWIGINTERN VALUE _wrap_OBPhModel_correct_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBGraphSym(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49826:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 49826 | SWIGINTERN VALUE _wrap_new_OBGraphSym(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBIsomorphismMapper_get_instance__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49884:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 49884 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_SteepestDescent(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24257:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24257 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24257:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24257 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24263:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24263 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24263:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24263 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24271:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24271 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24271:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24271 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49884:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 49884 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBIsomorphismMapper_get_instance(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49895:111: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 49895 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_get_instance(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBIsomorphismMapper_map_first(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49944:108: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 49944 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_first(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBIsomorphismMapper_map_unique(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:49994:109: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 49994 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_unique(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_SteepestDescentInitialize(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24330:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24330 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBIsomorphismMapper_map_all(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50071:106: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 50071 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_all(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24330:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24330 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24334:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24334 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24334:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24334 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24340:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24340 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24340:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24340 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24348:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24348 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24348:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24348 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBIsomorphismMapper_map_generic(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50121:110: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 50121 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_generic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_find_automorphisms__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50192:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 50192 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50192:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 50192 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_find_automorphisms__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50223:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 50223 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50223:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 50223 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_find_automorphisms__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50249:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 50249 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50249:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 50249 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_find_automorphisms__SWIG_6(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50340:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 50340 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_ConjugateGradients(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24412:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24412 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24412:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24412 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24418:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24418 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24418:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24418 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24426:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24426 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24426:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24426 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50340:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 50340 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_find_automorphisms__SWIG_7(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50361:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 50361 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50361:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 50361 | if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_find_automorphisms(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50366:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 50366 | if (!_v) goto check_2; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50366:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 50366 | if (!_v) goto check_2; { void *vptr = 0; | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50377:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 50377 | if (!_v) goto check_5; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50377:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 50377 | if (!_v) goto check_5; { void *vptr = 0; | ^ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50387:5: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 50387 | if (!_v) goto check_6; return _wrap_find_automorphisms__SWIG_6(nargs, args, self);} check_6: if (argc == 4) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50387:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 50387 | if (!_v) goto check_6; return _wrap_find_automorphisms__SWIG_6(nargs, args, self);} check_6: if (argc == 4) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBQueryAtom(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50443:94: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 50443 | SWIGINTERN VALUE _wrap_new_OBQueryAtom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_ConjugateGradientsInitialize(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24485:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24485 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBQueryBond(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50555:94: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 50555 | SWIGINTERN VALUE _wrap_new_OBQueryBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24485:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24485 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24489:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24489 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24489:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24489 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24495:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24495 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24495:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24495 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24503:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24503 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24503:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24503 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_compile_molecule_query(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50729:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 50729 | SWIGINTERN VALUE _wrap_compile_molecule_query(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_compile_smiles_query__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50751:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 50751 | if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50751:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 50751 | if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_compile_smiles_query__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50761:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 50761 | if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50761:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 50761 | if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_compile_smiles_query(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50762:99: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 50762 | SWIGINTERN VALUE _wrap_compile_smiles_query(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_MolecularDynamicsTakeNSteps(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24591:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24591 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_canonical_labels__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50800:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 50800 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50800:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 50800 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24591:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24591 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_canonical_labels__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50830:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 50830 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50830:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 50830 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_canonical_labels__SWIG_2(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50857:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 50857 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50857:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 50857 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24599:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24599 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24599:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24599 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24609:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24609 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24609:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24609 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_canonical_labels__SWIG_3(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50879:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 50879 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50879:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 50879 | if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_canonical_labels(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50880:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 50880 | SWIGINTERN VALUE _wrap_canonical_labels(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_OBStereo_make_refs(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:50929:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 50929 | SWIGINTERN VALUE _wrap_OBStereo_make_refs(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBStereoUnit(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51073:95: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 51073 | SWIGINTERN VALUE _wrap_new_OBStereoUnit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_new_OBStereoFacade(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51214:97: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 51214 | SWIGINTERN VALUE _wrap_new_OBStereoFacade(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_VectorAngleDerivative(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24926:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24926 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24926:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24926 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_perceive_stereo(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51363:94: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 51363 | SWIGINTERN VALUE _wrap_perceive_stereo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24928:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24928 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_stereo_from_2d(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51405:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 51405 | SWIGINTERN VALUE _wrap_stereo_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24928:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24928 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24930:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 24930 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:24930:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 24930 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_stereo_from_3d(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51427:93: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 51427 | SWIGINTERN VALUE _wrap_stereo_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_tetrahedral_from_3d(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51478:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 51478 | SWIGINTERN VALUE _wrap_tetrahedral_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_tetrahedral_from_2d(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51525:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 51525 | SWIGINTERN VALUE _wrap_tetrahedral_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_tetrahedral_from_0d(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51572:98: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 51572 | SWIGINTERN VALUE _wrap_tetrahedral_from_0d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_cis_trans_from_3d(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51619:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 51619 | SWIGINTERN VALUE _wrap_cis_trans_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_VectorOOPDerivative(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25013:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25013 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25013:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25013 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25015:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25015 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25015:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25015 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_cis_trans_from_2d(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51697:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 51697 | SWIGINTERN VALUE _wrap_cis_trans_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25017:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25017 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25017:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25017 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25019:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25019 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25019:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25019 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBForceField_VectorTorsionDerivative(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25106:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25106 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25106:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25106 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25108:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25108 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25108:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25108 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25110:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25110 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_cis_trans_from_0d(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51811:96: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 51811 | SWIGINTERN VALUE _wrap_cis_trans_from_0d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25110:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25110 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25112:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25112 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25112:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25112 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_find_stereogenic_units__SWIG_0(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51836:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 51836 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51836:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 51836 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_find_stereogenic_units__SWIG_1(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51860:3: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 51860 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51860:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 51860 | if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; } | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In function 'VALUE _wrap_find_stereogenic_units(int, VALUE*, VALUE)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:51861:101: warning: variable 'argv' set but not used [-Wunused-but-set-variable] 51861 | SWIGINTERN VALUE _wrap_find_stereogenic_units(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; | ^~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBuilder_Build(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25354:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25354 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25354:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25354 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25356:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25356 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25356 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25360:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25360 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25360:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25360 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25362:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25362 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25362:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25362 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBuilder_GetNewBondVector(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25444:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25444 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25444:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25444 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25448:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25448 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25448:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25448 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBuilder_Connect(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25536:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25536 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25536:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25536 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25543:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25543 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25543:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25543 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25552:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25552 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25552 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25561:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25561 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25561:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25561 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBBuilder_CorrectStereoAtoms(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25629:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25629 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25629:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25629 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25633:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25633 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25633:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25633 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBOp_Do(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25768:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25768 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25768:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25768 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25770:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25770 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25770:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25770 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25774:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25774 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25774:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25774 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25776:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25776 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25776:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25776 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25782:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25782 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25782:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25782 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25784:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25784 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25784:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25784 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25792:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25792 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25792:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25792 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25794:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 25794 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:25794:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 25794 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotor_SetDihedralAtoms(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26069:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26069 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26069:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26069 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26071:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26071 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26071:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26071 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26075:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26075 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26075 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotor_SetRotor(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26164:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26164 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26164:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26164 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26171:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26171 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26171:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26171 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotor_Set(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26259:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26259 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26259:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26259 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26266:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26266 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26266:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26266 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26275:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26275 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26275:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26275 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotor_GetDihedralAtoms(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26334:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26334 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26334:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26334 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26338:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26338 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26338:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26338 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotorList_Setup(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26589:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26589 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26589:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26589 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26591:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26591 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26591:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26591 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26595:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26595 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26595:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26595 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26597:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26597 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26597:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26597 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotorList_FindRotors(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26680:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26680 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26680:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26680 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26682:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26682 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26682:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26682 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26686:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26686 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26686:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26686 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26688:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26688 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26688:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26688 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotamerList_Setup(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26990:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26990 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26990 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26992:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26992 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26992 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26998:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 26998 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:26998:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 26998 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27000:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27000 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27000:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27000 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27002:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27002 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27002:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27002 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ [ 86%] Building CXX object test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o cd /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/data -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -pthread -DNDEBUG -O3 -DNDEBUG -fPIE -pthread -std=gnu++11 -o CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -c /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/test/canonfragmenttest.cpp /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotamerList_AddRotamer(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27073:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27073 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27073:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27073 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27079:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27079 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27079 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27085:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27085 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27085:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27085 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27087:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27087 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27087:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27087 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27091:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27091 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { { std::vector< int >* v; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27091:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27091 | if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { { std::vector< int >* v; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_OBRotamerList_SetBaseCoordinateSets(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27226:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27226 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27226:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27226 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27228:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27228 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27228:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27228 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27232:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27232 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27232:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27232 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27236:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27236 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27236:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27236 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap_new__OBMolAtomIter(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27347:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27347 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27347 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_inc(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27395:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27395 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27395:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27395 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27399:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27399 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27399:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27399 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_SetType(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27572:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27572 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27572:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27572 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27574:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27574 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27574:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27574 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27578:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27578 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27578:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27578 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_SetVector(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27634:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27634 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27634:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27634 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27638:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27638 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27638:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27638 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27640:8: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27640 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27640:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27640 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27644:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27644 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27644:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27644 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_SetAromatic(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27706:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27706 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27706:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27706 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27710:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27710 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27710:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27710 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_SetInRing(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27737:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27737 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27737:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27737 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27741:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27741 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27741 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector; Difference = long int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:4484:94: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector; Difference = int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:4606:98: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector; Difference = long int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:4845:112: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector; Difference = int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:4967:116: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_GetVector(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27981:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27981 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27981:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27981 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27985:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 27985 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:27985:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 27985 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector >; Difference = long int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:5156:168: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector >; Difference = int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:5278:172: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector; Difference = long int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:5482:100: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector; Difference = int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:5604:104: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_GetDistance(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28153:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28153 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28153:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28153 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28155:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28155 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28155:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28155 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector >; Difference = long int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:5933:110: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28159:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28159 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28159 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28161:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28161 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28161:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28161 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28165:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28165 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28165:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28165 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_GetAngle(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28204:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28204 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28204:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28204 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28206:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28206 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28206:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28206 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0; | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28208:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28208 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28208:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28208 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28212:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28212 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28212:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28212 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector >; Difference = int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:6055:114: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector; Difference = long int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:6252:124: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector; Difference = int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:6374:128: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28346:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28346 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28346:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28346 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28350:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28350 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28350:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28350 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector; Difference = long int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:6533:120: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector; Difference = int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:6655:124: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector >; Difference = long int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:6814:122: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector >; Difference = int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:6936:126: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector >; Difference = long int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:7095:128: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28653:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28653 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28653:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28653 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28657:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28657 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28657:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28657 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector >; Difference = int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:7217:132: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector >; Difference = long int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:7376:122: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector >; Difference = int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:7498:126: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_GetTitle(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28793:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28793 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28793:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28793 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28797:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28797 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28797:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28797 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector; Difference = long int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:7649:125: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector; Difference = int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:7771:129: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp: In function 'void _wrap__OBMolAtomIter_HasData(PerlInterpreter*, CV*)': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28854:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28854 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28854:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28854 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28856:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28856 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28856:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28856 | if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28860:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28860 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28860:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28860 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28862:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28862 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28862:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28862 | if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp: In instantiation of 'Sequence* swig::getslice(const Sequence*, Difference, Difference) [with Sequence = std::vector; Difference = long int]': /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:7930:139: required from here /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:69: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3357 | typename Sequence::size_type ii = swig::check_index(i, size, (i == size && j == size)); | ~~^~~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28866:7: warning: this 'if' clause does not guard... [-Wmisleading-indentation] 28866 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/perl/openbabel-perl.cpp:28866:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'if' 28866 | if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { | ^~~~~~ /builddir/build/BUILD/openbabel-9c001b5aeb8b985f26d111d811673150607662fa/scripts/ruby/openbabel-ruby.cpp:3357:82: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector