Candidate_v1.7.0
stable
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Last change
on this file since 1ca493a was b9bfa6, checked in by Frederik Heber <heber@…>, 15 years ago |
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Changed regression testsuite structure of Selection/Atoms and ../Molecules.
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-
Property mode
set to
100644
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File size:
558 bytes
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| Rev | Line | |
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| [c77ac8] | 1 | 24
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| 2 | Created by molecuilder for select-molecule-by-formula test
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| 3 | O 5 0 1.9329
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| 4 | H 5.7586 0 2.4371
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| 5 | H 5.7586 0 1.4286
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| 6 | H 12.9199 0.432973 0.0722817
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| 7 | C 13.787 -0.229529 -0.00971563
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| 8 | H 13.7344 -0.953986 0.809795
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| 9 | C 15.085 0.559039 0.0510545
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| 10 | O 16.2322 -0.27319 -0.127612
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| 11 | H 15.1506 1.12002 0.994302
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| 12 | H 16.2474 -0.899874 0.615068
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| 13 | H 15.1316 1.28418 -0.764522
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| 14 | H 13.7263 -0.774863 -0.954059
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| 15 | C 10 11.396 0
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| 16 | C 11.209 10.698 0
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| 17 | C 11.209 9.302 0
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| 18 | C 10 8.604 0
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| 19 | C 8.791 9.302 0
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| 20 | C 8.791 10.698 0
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| 21 | H 10 12.479 0
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| 22 | H 12.147 11.24 0
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| 23 | H 12.147 8.76 0
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| 24 | H 10 7.521 0
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| 25 | H 7.853 8.76 0
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| 26 | H 7.853 11.24 0
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