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33 lines
660 B
Plaintext
33 lines
660 B
Plaintext
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Marvin 06050905452D
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0 0 0 0 0 999 V3000
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M V30 BEGIN CTAB
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M V30 COUNTS 9 9 0 0 0
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M V30 BEGIN ATOM
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M V30 1 C 0.7476 -1.4581 0 0
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M V30 2 C -0.7885 -1.4581 0 0
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M V30 3 C 1.6627 -2.6967 0 0
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M V30 4 O 1.6627 -0.2009 0 0
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M V30 5 O -1.5659 -0.1115 0 0 -
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M V30 CHG=-1 -
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M V30 MASS=17
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M V30 6 O -1.5659 -2.786 0 0
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M V30 7 C 3.1431 -2.2244 0 0 CFG=1
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M V30 8 C 3.1431 -0.6844 0 0
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M V30 9 C 4.4768 -1.4544 0 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 1 1 3
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M V30 3 1 1 4
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M V30 4 1 2 5
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M V30 5 2 2 6
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M V30 6 1 3 7
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M V30 7 1 4 8
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M V30 8 1 7 8
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M V30 9 1 7 9 CFG=1
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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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