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/example/fragments.sdf
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| a | b/example/fragments.sdf | ||
|---|---|---|---|
| 1 | fragments |
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| 2 | PyMOL3.0 3D 0 |
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| 3 | |||
| 4 | 17 18 0 0 1 0 0 0 0 0999 V2000 |
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| 5 | -12.0780 -1.4870 26.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 6 | -11.9880 -0.1610 25.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 7 | -13.3390 -2.0460 26.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 8 | -13.1760 0.5220 25.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 9 | -14.5120 -1.3900 25.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 10 | -13.5690 -3.6750 26.6640 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 11 | -14.4120 -0.0670 25.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 12 | -5.4630 -5.7030 26.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 13 | -6.1660 -5.4790 27.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 14 | -4.0420 -5.2940 26.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 15 | -7.4870 -5.4460 27.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 16 | -5.2240 -4.9870 28.6610 C 0 0 1 0 0 0 0 0 0 0 0 0 |
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| 17 | -4.2420 -4.2060 27.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 18 | -8.1170 -5.0850 28.9210 C 0 0 2 0 0 0 0 0 0 0 0 0 |
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| 19 | -8.1270 -5.8030 26.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 20 | -5.9000 -4.2090 29.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 21 | -7.2860 -4.2920 29.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| 22 | 1 3 4 0 0 0 0 |
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| 23 | 1 2 4 0 0 0 0 |
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| 24 | 2 4 4 0 0 0 0 |
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| 25 | 3 6 1 0 0 0 0 |
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| 26 | 4 7 4 0 0 0 0 |
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| 27 | 3 5 4 0 0 0 0 |
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| 28 | 5 7 4 0 0 0 0 |
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| 29 | 8 9 1 0 0 0 0 |
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| 30 | 8 10 1 0 0 0 0 |
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| 31 | 9 11 1 0 0 0 0 |
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| 32 | 11 14 1 0 0 0 0 |
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| 33 | 9 12 1 0 0 0 0 |
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| 34 | 12 13 1 0 0 0 0 |
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| 35 | 12 16 1 0 0 0 0 |
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| 36 | 10 13 1 0 0 0 0 |
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| 37 | 11 15 2 0 0 0 0 |
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| 38 | 14 17 1 0 0 0 0 |
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| 39 | 16 17 2 0 0 0 0 |
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| 40 | M END |
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| 41 | $$$$ |