mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
64 lines
2.5 KiB
Plaintext
64 lines
2.5 KiB
Plaintext
Minimal example derived from CHEBI:60197
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Mrv0541 03051505372D
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25 32 0 0 0 0 999 V2000
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-1.6487 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.7096 1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0000 2.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7305 1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.6696 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.0871 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.6696 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7305 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.7096 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.6487 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.0661 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.8557 0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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0.8557 -0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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-0.8348 -0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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-2.0244 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4610 2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.0662 -1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.4400 2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.0662 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.8348 0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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0.0000 0.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0
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0.0000 -2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4610 -2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.4400 -2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.0244 -1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 20 1 0 0 0 0
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15 1 2 0 0 0 0
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1 11 1 0 0 0 0
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2 3 1 0 0 0 0
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20 2 1 0 0 0 0
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18 2 2 0 0 0 0
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3 4 2 0 0 0 0
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4 12 1 0 0 0 0
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16 4 1 0 0 0 0
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5 6 1 0 0 0 0
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12 5 2 0 0 0 0
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19 5 1 0 0 0 0
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6 7 2 0 0 0 0
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7 13 1 0 0 0 0
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7 17 1 0 0 0 0
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8 22 2 0 0 0 0
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23 8 1 0 0 0 0
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13 8 1 0 0 0 0
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9 22 1 0 0 0 0
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14 9 2 0 0 0 0
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24 9 1 0 0 0 0
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10 11 2 0 0 0 0
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14 10 1 0 0 0 0
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25 10 1 0 0 0 0
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21 13 1 0 0 0 0
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18 15 1 0 0 0 0
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16 19 2 0 0 0 0
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17 23 2 0 0 0 0
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25 24 1 0 0 0 0
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20 21 1 0 0 0 0
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12 21 8 0 0 0 0
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14 21 8 0 0 0 0
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M END
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