| 6dql_ligand | |
| RDKit 3D | |
| 159161 0 0 0 0 0 0 0 0999 V2000 | |
| 5.3128 -2.4153 0.6883 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 6.6531 -2.4810 1.3663 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 7.1244 -1.0963 1.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6667 -0.9618 2.9508 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6339 -3.1331 0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.9277 -3.5685 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.9650 -4.4277 -0.0887 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.5909 -4.0699 0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8784 -0.0386 0.9982 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0360 1.3908 1.4238 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.7459 2.1644 1.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6040 3.3718 1.1389 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2954 2.0486 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3952 1.9336 -0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7567 2.7317 -1.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1723 0.9783 -1.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1148 2.3228 -2.8192 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.9637 1.2414 -2.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.0438 -0.0692 -1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.5816 0.5016 -3.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.6714 -0.8146 -2.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.4368 -0.5326 -3.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7521 1.3002 0.6323 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3203 1.5868 0.5109 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.7099 0.2264 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4479 -0.7402 1.2263 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9258 1.9148 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4038 3.2859 -1.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0937 3.4085 -2.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7607 4.4477 -0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3525 0.1418 1.0454 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6841 -1.0290 1.6129 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.3377 -1.6410 0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3000 -2.2938 0.9924 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1641 -0.8014 3.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7424 0.4076 3.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8964 0.6068 2.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0443 1.7178 3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0696 -1.5250 -0.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8781 -1.6562 -1.8222 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.5950 -0.2759 -1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1521 0.6884 -1.2286 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8055 -2.8924 -1.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1104 -4.2662 -2.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1792 -5.3444 -2.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2013 -4.6814 -0.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6529 -0.1486 -2.7432 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6640 0.8825 -2.4727 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -4.7904 0.0808 -1.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2085 -0.9690 -2.2826 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2154 1.5066 -3.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3659 2.6563 -4.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1129 3.2924 -5.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9651 2.2307 -4.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2209 0.5952 -0.5921 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3960 0.0469 0.1032 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -7.3849 1.2212 0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0949 2.3408 -0.2013 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9670 -0.5340 1.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7715 -1.7436 1.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5951 -1.6867 3.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7019 -2.9413 1.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.3510 -2.7968 3.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4544 -4.0468 1.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2823 -3.9770 2.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6127 0.8924 0.7726 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.4269 1.9487 1.4224 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -9.0021 2.1749 2.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.8956 2.6097 3.7146 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -10.9182 1.6010 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.4441 1.4888 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -12.9048 1.0295 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.3294 2.8213 -0.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.8039 1.8464 3.2054 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3388 -1.9451 -0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6012 -1.8873 1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9056 -3.3488 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4806 -3.1046 2.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8872 -2.4279 -0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1507 -4.0078 -0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6760 -4.2691 1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.4454 -2.6975 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.3673 -4.5507 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.6463 -4.4518 1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.7702 -2.9882 0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8768 -0.1687 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0791 1.4195 2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3187 3.1093 1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.1764 1.5868 1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0985 3.5805 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8276 2.7758 -3.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.2649 -0.2719 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.4193 0.7391 -4.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.3636 -1.6012 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.9418 -1.1133 -4.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9486 0.3594 0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0268 2.3595 1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8388 1.8565 -1.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3284 1.1283 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4914 3.3638 -1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0246 3.2897 -3.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4030 4.3882 -3.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6289 2.6483 -3.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0823 4.4606 0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6703 4.3682 -0.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0425 5.4055 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7581 0.9342 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4326 -1.8287 1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0304 -0.7217 3.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3627 -1.7081 3.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2001 0.2065 4.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5858 1.3740 2.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4732 -0.3136 2.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5422 0.9271 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6247 2.5037 3.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8410 1.5997 4.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4772 2.0767 2.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6812 -0.7306 -0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2487 -1.7051 -2.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4502 -2.9110 -0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4966 -2.7988 -2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4958 -4.2209 -2.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7849 -5.1365 -3.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7207 -6.3291 -2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8539 -5.3999 -1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1991 -5.6894 -1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6648 -4.0222 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7433 -4.6945 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0787 -0.9891 -3.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2796 1.6493 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2154 1.9014 -3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3550 0.7329 -4.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2557 3.4281 -3.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5173 4.0944 -5.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3441 2.5571 -6.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0508 3.7364 -5.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4443 3.0588 -5.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0061 1.3864 -5.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3550 1.9372 -3.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0462 1.5771 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8660 -0.7081 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9186 -0.8612 1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0003 0.2346 2.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6592 -0.7674 3.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0606 -3.0120 0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.9997 -2.7297 4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4123 -4.9634 0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.8705 -4.8362 2.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.6331 0.0311 1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.2178 2.9039 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.0971 0.6490 1.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.5114 2.3531 1.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.8588 0.7388 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.0206 0.0974 0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.5592 1.7786 0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -13.2493 0.8605 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -10.2815 3.0960 -1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.8012 2.7605 -1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -11.8130 3.6294 -0.3375 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 | |
| $$$$ | |