Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
stable
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| 1 | 11
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| 2 | Created by molecuilder on Fri Oct 14 14:04:02 2011, time step 0
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| 3 | H 9.78209 2.64589 2.64589
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| 4 | H 9.78209 2.64589 4.42589
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| 5 | H 10.672 3.90454 3.53589
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| 6 | H 8.53279 4.78789 2.64589
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| 7 | H 8.53279 4.78789 4.42589
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| 8 | H 6.39363 3.90454 3.53589
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| 9 | H 7.28359 2.64589 2.64589
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| 10 | H 7.28359 2.64589 4.42589
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| 11 | C 9.78209 3.27519 3.53589
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| 12 | C 8.53279 4.15859 3.53589
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| 13 | C 7.28359 3.27519 3.53589
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