mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
55 lines
2.2 KiB
Plaintext
55 lines
2.2 KiB
Plaintext
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Mrv1561 03291611052D
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24 24 0 0 0 0 999 V2000
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-1.7543 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4687 2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4687 3.7750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4687 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3891 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1036 -0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.1036 -2.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
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0.3891 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.0398 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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12 24 1 0 0 0 0
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M CHG 1 20 -1
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M END
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