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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
54 lines
1.9 KiB
Plaintext
54 lines
1.9 KiB
Plaintext
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22 25 0 0 0 0 0 0 0 0999 V2000
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5.6377 1.0226 1.3547 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.2669 0.9932 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.3481 -0.1048 0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.0112 -1.4984 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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$$$$
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