mirror of
https://github.com/rdkit/rdkit.git
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63 lines
2.4 KiB
Plaintext
63 lines
2.4 KiB
Plaintext
1a9u_1
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RDKit 3D
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27 30 0 0 0 0 0 0 0 0999 V2000
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1.7670 22.3460 28.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.9400 21.5700 27.8010 O 0 0 0 0 0 0 0 0 0 0 0 0
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8.3550 11.2330 30.0350 F 0 0 0 0 0 0 0 0 0 0 0 0
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2.8260 17.9330 27.9810 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9890 11.0570 29.6830 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.1890 11.8340 29.6380 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4080 9.7650 29.7890 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.8520 16.8530 27.9720 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1500 13.3030 28.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3470 14.4320 28.2060 N 0 0 0 0 0 0 0 0 0 0 0 0
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0.4630 17.2150 27.7730 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5600 11.4490 27.6850 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.5350 12.7070 30.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.5720 11.9530 28.5980 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0750 18.5630 27.5900 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.5760 15.1690 28.3810 N 0 0 0 0 0 0 0 0 0 0 0 0
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6.6360 11.5840 28.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.2550 15.4900 28.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.4270 12.2190 27.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.7550 13.1100 28.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4690 9.3540 28.9050 N 0 0 0 0 0 0 0 0 0 0 0 0
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1.0690 19.5790 27.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.5530 13.7840 28.5630 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.4440 19.2780 27.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0330 10.1300 27.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.3380 13.3370 30.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5880 21.2640 27.4030 S 0 0 0 0 0 0 0 0 0 0 0 0
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2 27 2 0
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1 27 1 0
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27 22 1 0
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11 15 2 0
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11 8 1 0
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15 22 1 0
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22 24 2 0
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24 4 1 0
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4 8 2 0
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8 18 1 0
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21 25 2 0
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21 7 1 0
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25 12 1 0
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12 14 2 0
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14 5 1 0
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14 9 1 0
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5 7 2 0
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10 18 1 0
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10 9 1 0
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18 16 2 0
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16 23 1 0
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23 9 2 0
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23 20 1 0
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26 13 2 0
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26 20 1 0
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13 6 1 0
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6 17 2 0
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6 3 1 0
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17 19 1 0
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19 20 2 0
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M END
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$$$$
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