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:
543 bytes
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| 1 | 15
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| 2 | NCI NSC 3138 NSC3138 N,N-dimethylacetamide
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| 3 | C 0.0000 0.0000 0.0000
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| 4 | N 0.2400 0.9600 1.1000
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| 5 | C 0.0000 0.5800 2.3800
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| 6 | C -0.5000 -0.8200 2.6400
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| 7 | C 0.7600 2.3000 0.7800
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| 8 | O 0.1600 1.3400 3.3000
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| 9 | H 0.6164 -0.8635 0.1393
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| 10 | H -1.0292 -0.2927 0.0002
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| 11 | H 0.2393 0.4619 -0.9351
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| 12 | H -0.6555 -0.9539 3.6902
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| 13 | H 0.2242 -1.5274 2.2936
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| 14 | H -1.4232 -0.9712 2.1206
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| 15 | H 0.4218 2.9990 1.5162
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| 16 | H 0.4063 2.5988 -0.1847
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| 17 | H 1.8297 2.2759 0.7759
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