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https://github.com/rdkit/rdkit.git
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32 lines
700 B
Plaintext
32 lines
700 B
Plaintext
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-BINGO- 02151011022D
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0 0 0 0 0 0 0 0 0 0 0 V3000
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M V30 BEGIN CTAB
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M V30 COUNTS 7 7 0 0 0
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M V30 BEGIN ATOM
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M V30 1 C 0.500000 0.866026 0.000000 0
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M V30 2 C 1.500000 0.866026 0.000000 0
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M V30 3 C 2.000000 0.000000 0.000000 0
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M V30 4 C 1.500000 -0.866025 0.000000 0
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M V30 5 C 0.500000 -0.866025 0.000000 0
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M V30 6 C 0.000000 0.000000 0.000000 0
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M V30 7 C -1.000000 -0.000000 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 4 1 2
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M V30 2 4 2 3
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M V30 3 4 3 4
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M V30 4 4 4 5
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M V30 5 4 5 6
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M V30 6 4 6 1
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M V30 7 1 6 7
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M V30 END BOND
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M V30 BEGIN COLLECTION
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M V30 MDLV30/HILITE BONDS=(1 7)
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M V30 MDLV30/HILITE ATOMS=(1 7)
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M V30 END COLLECTION
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M V30 END CTAB
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M END
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