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25 lines
533 B
Plaintext
25 lines
533 B
Plaintext
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RDKit 2D
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0 0 0 0 0 0 0 0 0 0999 V3000
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M V30 BEGIN CTAB
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M V30 COUNTS 6 6 0 0 0
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M V30 BEGIN ATOM
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M V30 1 C 1.500000 0.000000 0.000000 0
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M V30 2 C 0.750000 1.299038 0.000000 0
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M V30 3 C -0.750000 1.299038 0.000000 0
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M V30 4 C -1.500000 0.000000 0.000000 0
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M V30 5 C -0.750000 -1.299038 0.000000 0
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M V30 6 C 0.750000 -1.299038 0.000000 0
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M V30 END ATOM
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M V30 BEGIN BOND
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M V30 1 1 1 2
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M V30 2 2 2 3
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M V30 3 1 3 4
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M V30 4 2 4 5
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M V30 5 1 5 6
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M V30 6 2 1 6
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M V30 END BOND
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M V30 END CTAB
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M END
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