annotate test-data/JZ4.mol2 @ 0:6c6cecf51bd0 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3664d8011044773cc3250ce15d712d97b0b91373"
author chemteam
date Tue, 07 Apr 2020 08:07:39 -0400
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6c6cecf51bd0 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3664d8011044773cc3250ce15d712d97b0b91373"
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8 1 C4 0.7939 1.3702 2.1983 C.3 167 JZ4167 -0.0650
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17 10 OAB 4.5987 1.6713 -0.9677 O.3 167 JZ4167 -0.5065
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27 20 H 2.6004 2.5342 2.2276 H 167 JZ4167 0.0266
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28 21 H 2.6177 1.1288 3.2886 H 167 JZ4167 0.0266
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29 22 H 5.2561 1.9626 -1.6199 H 167 JZ4167 0.2921
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