mirror of
https://github.com/rdkit/rdkit.git
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3f4297fa44
Code/ForceField and Code/GraphMol/ForceFieldHelpers to the respective UFF subfolders since from now on UFF will not be the only available force field anymore. I updated the relevant CMakeLists.txt files accordingly. Paolo
17 lines
736 B
Plaintext
17 lines
736 B
Plaintext
15602
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8 49915 33D 15602
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6 5 0 1 V2000
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0.0021 -0.0041 0.0020 Sb 0 0 0 0 0 0 0 0 0
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-0.0256 2.0357 0.0132 O 0 0 0 0 0 0 0 0 0
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0.0297 -2.0438 -0.0092 O 0 0 0 0 0 0 0 0 0
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-2.0376 -0.0318 0.0213 H 0 0 0 0 0 0 0 0 0
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1.0051 0.0193 -1.7742 H 0 0 0 0 0 0 0 0 0
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1.0388 0.0003 1.7589 H 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0 0
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1 3 1 0 0 0 0
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1 4 1 0 0 0 0
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1 5 1 0 0 0 0
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1 6 1 0 0 0 0
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M END
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