Candidate_v1.6.1
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Last change
on this file was 33ee99, checked in by Frederik Heber <heber@…>, 10 years ago |
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TESTS: Extended Tesselations tests to convex case.
- moved all present tests to NonConvex folder, added same set but including
amylose in Convex folder.
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-
Property mode
set to
100644
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File size:
625 bytes
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| Rev | Line | |
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| [36eb4e] | 1 | 18
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| 2 | NCI NSC 60920 3, 4-Xylene
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| 3 | C 1.8161 -1.4446 0.0014
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| 4 | C 0.5110 -0.6911 0.0019
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| 5 | C 0.5110 0.6911 0.0003
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| 6 | C -0.6863 -1.3823 -0.0018
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| 7 | C 1.8161 1.4446 -0.0020
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| 8 | C -0.6863 1.3824 0.0003
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| 9 | C -1.8832 -0.6913 -0.0014
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| 10 | C -1.8832 0.6913 0.0023
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| 11 | H 2.1318 -1.6250 1.0290
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| 12 | H 1.6853 -2.3976 -0.5112
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| 13 | H 2.5753 -0.8561 -0.5138
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| 14 | H -0.6863 -2.4623 -0.0054
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| 15 | H 2.1297 1.6250 -1.0302
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| 16 | H 1.6864 2.3976 0.5109
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| 17 | H 2.5763 0.8561 0.5118
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| 18 | H -0.6863 2.4624 -0.0010
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| 19 | H -2.8186 -1.2313 -0.0047
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| 20 | H -2.8186 1.2313 0.0027
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