Candidate_v1.6.1
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Last change
on this file since a844d8 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:
774 bytes
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| Rev | Line | |
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| [36eb4e] | 1 | 22
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| 2 | NCI NSC 46708 2-Amino-3-methylvaleric acid
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| 3 | C 0.3772 -0.3291 -0.6807
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| 4 | C -0.7998 0.4009 -0.0307
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| 5 | C 1.6687 0.1728 -0.0881
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| 6 | N 0.2541 -1.7722 -0.4353
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| 7 | C -2.1110 -0.1087 -0.6323
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| 8 | C -0.7939 0.1376 1.4765
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| 9 | O 2.1353 -0.3658 0.8877
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| 10 | O 2.3008 1.2182 -0.6443
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| 11 | C -3.2881 0.6214 0.0177
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| 12 | H 0.3730 -0.1415 -1.7544
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| 13 | H -0.7085 1.4717 -0.2128
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| 14 | H 0.2625 -1.8979 0.5658
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| 15 | H -0.6641 -2.0432 -0.7539
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| 16 | H -2.1153 0.0790 -1.7060
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| 17 | H -2.2024 -1.1795 -0.4502
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| 18 | H 0.1403 0.5006 1.9051
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| 19 | H -1.6324 0.6577 1.9395
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| 20 | H -0.8852 -0.9332 1.6585
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| 21 | H 3.1295 1.5403 -0.2641
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| 22 | H -3.2838 0.4338 1.0914
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| 23 | H -3.1968 1.6922 -0.1644
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| 24 | H -4.2222 0.2583 -0.4109
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