mirror of
https://github.com/schrodinger/pymol-open-source.git
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79 lines
3.4 KiB
Plaintext
79 lines
3.4 KiB
Plaintext
MFCD00001453
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ChemPy 3D 0
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36 37 0 0 1 0 0 0 0 0999 V2000
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-3.6244 -0.5394 -0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.3950 -0.8637 -1.2896 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0981 0.5442 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4600 0.3372 0.6073 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.0512 1.9553 1.5505 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.0697 -0.1609 2.5167 O 0 0 0 0 0 0 0 0 0 0 0 0
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-4.6497 -1.9940 -1.7542 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.2559 0.6751 1.2684 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.5230 0.8950 -0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.6149 -0.7243 0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.6501 2.2469 2.1332 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.1788 -1.0979 2.3413 H 0 0 0 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 2 0 0 0 0
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2 5 1 0 0 0 0
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2 6 1 0 0 0 0
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2 17 1 0 0 0 0
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3 7 2 0 0 0 0
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3 18 1 0 0 0 0
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4 8 1 0 0 0 0
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4 19 1 0 0 0 0
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5 9 1 0 0 0 0
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14 32 1 0 0 0 0
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15 35 1 0 0 0 0
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16 36 1 0 0 0 0
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M END
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