| 6dql_ligand | |
| RDKit 3D | |
| 159161 0 0 0 0 0 0 0 0999 V2000 | |
| 12.3160 -0.6454 0.4201 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 10.9267 -1.2209 0.3390 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 9.9434 -0.0485 0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.2989 0.9783 1.0316 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.7583 -2.2475 1.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.4627 -3.0522 1.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.5195 -4.4840 2.4187 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9067 -5.2106 2.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.7518 -0.2086 -0.1995 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7502 0.8687 -0.2856 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 6.4848 0.3284 0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4671 -0.8016 0.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5420 1.2716 -1.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.8028 1.8576 -2.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1691 3.1880 -2.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.8781 1.1539 -2.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4189 3.3129 -2.8284 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.8921 2.0812 -3.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.0955 -0.1902 -3.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.1211 1.7294 -3.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.3149 -0.5596 -3.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.3140 0.3898 -4.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4212 1.2057 0.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1521 0.7385 1.0111 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.4158 -0.0962 -0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7594 -0.0965 -1.2394 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3107 1.8629 1.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7739 3.0364 0.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9173 2.6160 -0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8507 4.0272 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3701 -0.8435 0.4302 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6414 -1.8127 -0.3915 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.3261 -2.2090 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1114 -3.3527 0.3511 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4973 -3.0201 -0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4536 -3.6277 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7429 -4.1517 1.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2629 -4.7603 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3371 -1.1251 0.8868 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7345 -1.2450 1.3004 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.6216 -0.6398 0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1387 0.0096 -0.7339 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9883 -0.6865 2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7548 0.8055 3.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6784 1.7594 2.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3030 1.2474 2.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9585 -0.8935 0.3415 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0008 -0.3484 -0.5324 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -6.0978 0.2182 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9564 0.1508 1.6302 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4269 -1.3612 -1.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9145 -2.7677 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7750 -3.6965 -0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0114 -2.7636 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1430 0.8872 -0.1886 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2149 1.4679 0.6378 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -9.4379 0.5276 0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.6688 -0.3202 1.4171 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.4796 2.9245 0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.3304 3.6821 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.7354 4.3500 2.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.7254 3.7122 1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.5204 5.0377 3.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.5094 4.3986 2.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.9081 5.0633 3.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.1596 0.6152 -0.6265 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.4976 -0.6516 -1.3233 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -9.3821 -0.9483 -2.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.4869 -2.0090 -3.0663 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -11.8774 -0.5585 -1.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.0263 -1.2528 -1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.2088 -0.6975 0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.8610 -2.7760 -1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.4792 -0.0384 -2.4402 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.3632 -0.0239 1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.0577 -1.3445 0.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.4697 -0.0201 -0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.8593 -1.6836 -0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.6229 -2.9261 1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.7632 -1.7470 2.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.5951 -2.4402 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.3590 -3.4152 0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7933 -6.1637 2.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0992 -4.5379 2.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8356 -5.4029 0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3832 -1.1313 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.0920 1.7311 0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2307 0.4017 -2.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7364 2.0073 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6518 4.0560 -1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.9217 4.1839 -2.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.3090 -0.9305 -3.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.8887 2.4727 -3.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.4693 -1.5860 -4.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 13.2475 0.0935 -4.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3264 1.8389 -0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3909 0.0389 1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8981 2.2977 2.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4464 1.3942 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1103 3.5990 1.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5221 2.2137 -1.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1735 1.8689 -0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3738 3.4796 -0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4690 3.6400 -0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5021 4.2991 1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3867 4.9477 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2102 -0.8951 1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3302 -1.2868 -1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1157 -2.6928 -1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8436 -3.8065 -1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1703 -2.8593 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2481 -3.3452 2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9931 -4.9046 1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4573 -4.6163 2.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6126 -5.5848 -0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8065 -4.4033 -1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9993 -5.1611 0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1374 -0.2484 0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9863 -2.3133 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3653 -1.2715 3.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0231 -0.9206 2.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0032 0.9113 4.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4205 1.8352 1.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7220 1.4460 2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6038 2.7694 2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3771 0.5383 3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1519 2.2255 3.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0150 1.3540 1.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3086 -1.2282 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5804 0.5255 -1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2043 -0.9076 -2.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5765 -1.5013 -2.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3460 -3.2107 -2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1342 -4.7309 -0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3791 -3.4377 0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9540 -3.6740 -1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.8097 -2.0691 -0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6247 -2.4912 0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4584 -3.7586 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4278 0.5841 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9016 1.4669 1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5180 3.4465 0.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.9287 2.9961 -0.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6542 4.3308 2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.2135 3.1904 0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.0490 5.5466 4.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.5932 4.4080 1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.5195 5.5975 3.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.6836 1.1861 -1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -11.8444 -0.9891 -3.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.1496 0.4993 -2.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.9528 -1.0402 -1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.3417 -0.8910 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| -12.8604 -3.1801 -2.2137 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 | |
| $$$$ | |