| 5zk9_ligand | |
| RDKit 3D | |
| 263264 0 0 0 0 0 0 0 0999 V2000 | |
| 1.3563 6.2152 0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8089 5.7566 1.7153 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7843 6.6788 0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -0.5980 5.7997 -0.8349 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
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| 0.1480 6.5301 -3.0073 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -2.9426 5.9031 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6984 4.8262 1.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -1.3570 4.5650 3.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7713 3.3197 3.6978 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -0.4152 5.0734 4.2426 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6490 5.1112 -2.9808 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 1.0829 3.2761 -5.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 1.5647 -2.9087 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 1.2581 -2.4526 1.3335 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 5.8248 -1.3757 -0.8662 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.7045 -0.1251 -0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7089 0.0393 -1.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6312 -1.0176 -1.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8668 -0.4177 -3.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1585 1.0818 -3.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8989 -1.1942 -3.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3794 0.8908 0.1969 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4406 1.0711 1.3237 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 4.5287 2.2826 1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8889 3.1891 0.2575 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2442 1.4717 2.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9976 0.3182 3.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1584 0.6226 4.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3854 0.0895 2.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5888 0.7282 3.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3464 2.4913 1.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5209 1.0253 4.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2749 1.5365 2.0308 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 1.9102 0.6472 0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0502 1.4483 -0.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1682 1.5271 -2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5613 1.3791 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0360 2.3752 2.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6432 -0.2128 3.7222 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5837 -0.7503 5.0882 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 1.6063 0.3883 6.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8552 1.3673 6.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3601 -2.0482 5.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8773 -2.0552 5.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2042 -2.4037 3.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5388 -3.1049 6.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4445 0.2149 7.2517 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9291 1.3661 8.0182 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 4.4637 1.3226 7.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0526 0.2574 7.6922 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5788 1.2738 9.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0693 1.2915 9.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5132 -0.0672 10.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8866 -0.3804 11.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2883 -1.6833 12.1211 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 5.1526 2.4726 8.1251 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4315 5.8472 0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0612 7.0307 1.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9254 7.5043 0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2518 6.7166 -1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6362 4.7583 -0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0469 7.4067 -0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -3.6289 6.6512 0.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6666 4.5327 1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2319 3.9457 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4240 6.2268 2.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -2.4705 2.8403 3.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0528 5.9389 3.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -1.6760 6.3248 -4.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 0.6147 4.2516 -4.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7049 5.3469 -5.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1610 3.8056 -7.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 2.1421 3.2792 -5.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 0.4849 0.3679 12.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6237 -2.4559 11.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5351 -1.9351 13.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7388 -1.6632 12.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1538 2.4091 7.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7457 3.3742 7.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 2 0 | |
| 1 3 1 0 | |
| 4 1 1 0 | |
| 5 4 1 0 | |
| 6 5 1 0 | |
| 5 8 1 0 | |
| 6 7 2 0 | |
| 15 6 1 0 | |
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| 12 14 1 0 | |
| 16 15 1 0 | |
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| 23 17 1 0 | |
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| 120262 1 0 | |
| 120263 1 0 | |
| M CHG 3 13 1 58 1 119 1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |