mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
46 lines
1.8 KiB
Plaintext
46 lines
1.8 KiB
Plaintext
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-ISIS- 03290413112D
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19 21 0 0 0 0 0 0 0 0999 V2000
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-0.5458 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.8208 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3542 1.6250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
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0.2417 -0.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
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-1.2000 -0.3292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
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-1.6417 0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8833 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4333 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4708 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.6250 2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7083 2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0292 2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.1708 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2167 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.8083 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4125 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0167 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0167 -3.2667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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0.8458 0.4958 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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7 6 2 0 0 0 0
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15 17 2 0 0 0 0
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12 11 1 0 0 0 0
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M END
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