| 6dql_ligand | |
| RDKit 3D | |
| 159161 0 0 0 0 0 0 0 0999 V2000 | |
| 8.5700 -2.8717 -1.7234 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 7.5278 -3.2891 -0.7326 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.7641 -2.5708 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.4561 -3.0427 1.5048 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4744 -4.8203 -0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.7027 -5.5792 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.1871 -5.3080 -1.1254 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.3204 -6.4253 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2459 -1.2984 0.6645 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5819 -0.3639 1.7611 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.5853 0.8148 1.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8085 1.8916 2.3026 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.0366 0.1423 1.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.4771 0.4774 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.0380 1.5330 -0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4199 -0.2488 -0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.6563 1.4775 -1.7056 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4678 0.3683 -1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.2255 -1.3840 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.2672 -0.1057 -2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.0396 -1.8641 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.0525 -1.2342 -2.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3826 0.5136 1.1561 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2549 1.4412 1.1366 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.0323 0.6651 0.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1437 -0.4536 0.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5234 2.7286 0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1505 2.5630 -1.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2521 1.8315 -2.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5075 3.9441 -1.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8470 1.3342 0.7253 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5944 0.9351 0.0773 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.2670 2.2135 0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0371 3.1387 0.9089 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0554 -0.2536 0.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0851 -1.0529 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4838 -1.6704 -1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6973 -2.1577 0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -2.2850 3.4053 -0.6425 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.7315 2.9889 -0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6276 3.7957 -1.2203 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7692 4.6420 -1.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -2.7742 4.4404 -3.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -4.4120 0.5379 1.4066 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -6.6622 0.2942 1.0669 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9655 -0.2375 2.4004 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -8.0656 -1.3188 2.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -7.2671 0.8606 3.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3261 1.8539 3.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9630 3.0578 2.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.6842 1.5851 3.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.9396 3.9744 1.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.6584 2.5028 2.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -8.0130 -2.0028 1.1175 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 6.5795 -2.9358 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 8.9284 -5.3068 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.4758 -6.6493 -0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.4824 -6.0649 0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.9121 -7.4375 -0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.2799 -6.4408 -0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7786 -0.8733 -0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4343 -0.8965 2.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1846 1.0195 2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.6975 -0.6371 2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3606 2.3472 -0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.5460 2.1579 -2.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.2440 -1.8706 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.3204 0.4130 -3.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.6903 -2.7181 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.7152 -1.6040 -3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1184 -0.4686 1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0434 1.7063 2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1961 3.3589 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5949 3.3073 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0834 1.9998 -0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6435 1.9210 -3.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2071 0.7639 -1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2343 2.2337 -2.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1699 4.4862 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6090 4.5495 -1.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0263 3.8472 -2.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8075 2.2280 1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8366 0.7156 -0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7231 -0.9531 1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5408 0.1084 1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -1.2120 -2.3218 -1.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4024 -2.2702 -1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -2.1645 -1.7364 1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -1.5101 1.5608 -1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3532 3.7063 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 0.4095 3.5567 -2.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| M CHG 2 1 1 69 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |