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https://github.com/rdkit/rdkit.git
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21 lines
723 B
Plaintext
21 lines
723 B
Plaintext
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RDKit 2D
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8 7 0 0 0 0 0 0 0 0999 V2000
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2.7538 0.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.4606 0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4723 -1.3948 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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0.1558 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.1374 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4305 -0.6752 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8975 1.3780 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3772 -1.2083 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
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2 1 1 6
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2 3 1 0
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2 4 1 0
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4 5 1 0
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5 6 1 0
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5 7 1 0
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5 8 1 0
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M END
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