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Viewing changes to tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene+benzene_PACKMOL/packmol_files/benzene.xyz

  • Committer: Package Import Robot
  • Author(s): Anton Gladky
  • Date: 2015-04-29 23:44:49 UTC
  • mfrom: (5.1.3 experimental)
  • Revision ID: package-import@ubuntu.com-20150429234449-mbhy9utku6hp6oq8
Tags: 0~20150313.gitfa668e1-1
Upload into unstable.

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tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene+benzene_PACKMOL/packmol_files/benzene.xyz
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C1      5.274   1.999  -8.568
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C2      6.627   2.018  -8.209
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C3      7.366   0.829  -8.202
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C4      6.752  -0.379  -8.554
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C5      5.399  -0.398  -8.912
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C6      4.660   0.791  -8.919
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H11     4.704   2.916  -8.573
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H21     7.101   2.950  -7.938
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H31     8.410   0.844  -7.926
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H41     7.322  -1.296  -8.548
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H51     4.925  -1.330  -9.183
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H61     3.616   0.776  -9.196