| 6dql_ligand | |
| RDKit 3D | |
| 159161 0 0 0 0 0 0 0 0999 V2000 | |
| 8.6068 -0.2477 3.3021 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 9.7782 -0.0082 2.3880 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 9.2527 0.8434 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1415 2.0604 1.3565 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4520 -1.3248 1.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.0417 -2.1507 3.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.1398 -1.2035 4.2299 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.6594 -1.2462 3.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6424 0.1485 0.1989 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5269 0.7785 -0.5185 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.3360 0.7272 0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3936 0.0595 1.5284 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1433 0.0148 -1.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2830 -0.5790 -2.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3928 -1.9131 -2.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.4321 0.0853 -3.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.5369 -2.0762 -3.6543 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.1959 -0.8743 -3.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.8929 1.4185 -3.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.3976 -0.5760 -4.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.0940 1.7366 -3.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.8292 0.7518 -4.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2262 1.4654 0.1238 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8905 1.0644 0.5851 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.3731 0.0428 -0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9661 -0.1135 -1.5192 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9548 2.2528 0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7633 3.2707 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0290 4.5027 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9726 2.7073 -1.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2700 -0.7012 -0.0919 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9620 -1.9307 -0.8323 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.4825 -2.1042 -1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1499 -2.9040 -2.0822 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4112 -3.1625 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9358 -3.2967 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6857 -3.5188 -1.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2291 -4.4635 1.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4343 -1.4393 -0.4296 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8697 -1.5822 -0.6689 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.6645 -0.4365 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1455 0.3282 0.8119 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4016 -2.9743 -0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9193 -3.5302 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5015 -4.9364 1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2914 -2.6480 2.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9704 -0.3638 -0.4091 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0277 0.4076 0.2541 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -6.1937 -0.6104 0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1115 -1.7521 -0.0247 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4565 1.5916 -0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4075 2.7094 -0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1920 3.4685 0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8463 3.6870 -1.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.3015 -0.1802 1.1306 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.5167 -1.0099 1.2186 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -9.6366 -0.6238 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.7088 -1.2277 0.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.0638 -1.0824 2.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.4064 0.2445 3.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.5241 0.8435 4.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.6158 0.8889 3.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.8474 2.0587 4.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.9387 2.1054 3.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.0576 2.6864 4.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.3453 0.4331 -0.5837 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.1800 0.9410 -1.7010 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -9.3156 1.9220 -2.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.9151 2.6111 -3.4489 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -11.4519 1.6146 -1.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.6379 1.6990 -2.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.7783 2.4928 -1.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.1512 0.3200 -2.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.0757 1.8925 -2.2772 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8323 -0.7586 2.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.8603 -0.7015 4.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1838 0.6650 3.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4672 0.6296 2.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.2423 -1.1073 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7438 -1.9763 1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.2284 -2.5422 3.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.5767 -3.0215 2.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 14.0207 -2.2763 3.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.4853 -0.8172 2.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 14.4316 -0.6546 3.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6455 -0.8628 0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7785 1.8248 -0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4639 -0.8074 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5676 0.6743 -2.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7385 -2.7574 -2.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.8423 -2.9442 -4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.3229 2.2058 -2.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.9638 -1.3379 -4.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.4397 2.7690 -3.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.7545 1.0189 -4.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2167 1.8051 -0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0013 0.5120 1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9729 1.8806 1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3631 2.7997 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7427 3.6041 -0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5733 4.9520 1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0246 4.2392 0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9230 5.2676 -0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0356 2.2458 -1.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5446 1.9624 -2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7132 3.5005 -2.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8972 -0.6090 0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4907 -1.9069 -1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0365 -4.0756 -0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9243 -3.1245 0.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3235 -2.3899 0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6145 -2.6487 -1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7539 -3.6943 -0.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2885 -4.3844 -1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3064 -4.5430 1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8912 -5.4161 0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7262 -4.3166 2.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1504 -0.6201 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0193 -1.4664 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5011 -2.9819 -0.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0976 -3.6904 -1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8297 -3.6372 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2205 -5.5972 0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5952 -4.9067 1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1224 -5.3821 2.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6952 -1.7330 2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3506 -2.3728 2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0987 -3.1616 3.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3359 -1.0869 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6955 0.7167 1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -5.7026 1.2086 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4491 2.2754 -1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5022 4.3075 0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1351 3.8743 0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7636 2.8210 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8041 4.1615 -1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1008 4.4794 -1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -7.4380 0.8130 1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2416 -2.0334 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3240 -1.5939 3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.9580 -1.7205 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5822 0.3605 4.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.3257 0.4519 2.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1592 2.5124 5.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -14.0498 0.4147 -3.1896 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 | |
| $$$$ | |