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https://github.com/rdkit/rdkit.git
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25 lines
936 B
Plaintext
25 lines
936 B
Plaintext
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Mrv0541 02181205152D
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9 9 0 0 0 0 999 V2000
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0.2663 -0.7508 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0
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0.9931 -0.3214 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
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-0.4509 -0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.4509 0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.9931 0.4797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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0.2663 0.9043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2663 -1.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.7127 -0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2663 1.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2 1 2 0 0 0 0
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3 1 1 0 0 0 0
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4 3 2 0 0 0 0
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5 2 1 0 0 0 0
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6 5 2 0 0 0 0
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7 1 1 0 0 0 0
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8 2 1 0 0 0 0
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9 6 1 0 0 0 0
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6 4 1 0 0 0 0
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M CHG 2 1 -1 2 1
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M END
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