mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-07 22:44:25 +08:00
44 lines
1.8 KiB
Plaintext
44 lines
1.8 KiB
Plaintext
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-ISIS- 06160512192D
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18 20 0 0 0 0 0 0 0 0999 V2000
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-0.9103 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2724 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.9103 -1.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.0034 -0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0069 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.6552 0.8724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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0.2724 -2.3517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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-2.0034 -2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0897 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.2621 -1.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.8897 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0897 -1.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.1828 -0.0724 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
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2.2793 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.7276 0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.5034 2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.9621 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.3448 1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0 0
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1 3 2 0 0 0 0
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1 4 1 0 0 0 0
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2 5 1 0 0 0 0
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2 6 2 0 0 0 0
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3 7 1 0 0 0 0
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3 8 1 0 0 0 0
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4 9 2 0 0 0 0
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5 10 2 0 0 0 0
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6 11 1 0 0 0 0
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8 12 2 0 0 0 0
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9 13 1 0 0 0 0
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11 14 1 0 0 0 0
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11 15 2 0 0 0 0
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14 16 2 0 0 0 0
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15 17 1 0 0 0 0
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16 18 1 0 0 0 0
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5 7 1 0 0 0 0
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9 12 1 0 0 0 0
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17 18 2 0 0 0 0
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M END
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