| 6e4v_ligand | |
| RDKit 3D | |
| 105110 0 0 0 0 0 0 0 0999 V2000 | |
| -6.0860 2.5389 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8911 1.1174 0.5677 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -6.2411 0.1044 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9397 -0.6295 -0.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9491 0.3102 -1.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6205 -0.2636 -1.7196 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -2.0448 -1.3565 -1.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6330 3.4934 -0.3979 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0850 0.8489 1.9413 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5631 0.6136 -1.5419 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8027 -1.3511 -1.3849 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.6710 2.1048 2.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6759 2.9598 1.9089 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.6587 3.6699 2.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2646 3.0240 2.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9869 3.1880 0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4385 1.7619 3.5129 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1469 3.5369 0.7138 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7026 -3.7548 -2.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0651 -3.5231 -3.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6990 -4.6015 -3.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8192 -4.8437 -5.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4207 -5.8464 -5.8565 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6908 -2.3882 -2.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8599 2.3997 0.5171 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 0.1713 2.6110 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8453 3.9234 -0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1473 4.0937 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4613 4.8304 -0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1862 4.3467 -1.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4859 2.9720 -1.5941 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9561 1.0850 0.9013 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6701 1.5151 -0.8191 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4014 2.4638 -0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0398 1.2252 -0.2258 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 5.1610 0.4300 0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8543 0.0984 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0928 -0.8403 1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7608 -1.0731 0.5487 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 0.8405 -1.6925 1.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7047 -2.8717 2.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2494 -3.9190 2.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7107 -4.9711 3.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7433 -6.3537 2.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9927 -6.8298 2.5775 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9473 3.3661 0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4017 -0.5892 -0.6625 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3623 -1.0024 1.0331 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6479 -3.9209 2.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2548 1.6187 0.5556 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.5296 1.1966 0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6355 0.4975 -0.9549 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7710 1.5554 0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2952 0.0460 -0.4371 Fe 0 0 0 0 0 6 0 0 0 0 0 0 | |
| -4.7384 1.0338 0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8767 -0.6732 -0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7618 0.4972 -1.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2704 -1.4261 -1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5227 -1.0378 0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9182 1.3304 -1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3830 0.4730 -2.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4301 -0.1062 1.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0117 2.1166 1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5952 4.7398 2.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8093 3.4469 3.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5605 3.5859 3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2912 1.9754 2.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6888 4.2830 0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8446 3.0923 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6735 4.4573 0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0321 -2.9866 -2.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3119 -4.7349 -2.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7709 -3.6866 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7025 -4.2459 -4.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7360 -5.5120 -3.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7502 -3.9034 -5.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8156 -5.1297 -4.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0756 -5.4302 -6.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6582 -2.3081 -3.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2103 4.8303 -0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5929 3.1121 -0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2431 5.9146 -0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0848 4.7071 0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5952 4.4984 -2.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1352 4.8944 -1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3396 0.6259 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6828 -0.5658 0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0667 0.8430 1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9382 -0.4414 -0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1887 0.9552 -0.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2365 -0.4403 2.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7533 -1.7648 0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2976 -3.0501 2.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3233 -5.0071 4.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3183 -4.7734 3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0372 -6.4199 2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3141 -7.0530 3.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9096 -7.8179 2.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1891 -3.1286 2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0860 -4.8858 2.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7555 -3.8207 1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1271 2.1929 1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.4858 2.1375 1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.3840 0.6721 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.3961 2.2398 0.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2 1 1 0 | |
| 1 8 2 0 | |
| 1 18 1 0 | |
| 3 2 1 0 | |
| 2 9 1 0 | |
| 4 3 1 0 | |
| 5 4 1 0 | |
| 6 5 1 0 | |
| 7 6 2 0 | |
| 6 10 1 0 | |
| 7 11 1 0 | |
| 24 7 1 0 | |
| 9 12 1 0 | |
| 12 13 1 0 | |
| 12 17 2 0 | |
| 13 14 1 0 | |
| 18 13 1 0 | |
| 14 15 1 0 | |
| 15 16 1 0 | |
| 16 25 1 0 | |
| 20 19 1 0 | |
| 20 21 1 0 | |
| 20 24 2 0 | |
| 21 22 1 0 | |
| 22 23 1 0 | |
| 25 26 2 0 | |
| 25 32 1 0 | |
| 26 27 1 0 | |
| 26 33 1 0 | |
| 27 28 2 0 | |
| 28 29 1 0 | |
| 29 30 1 0 | |
| 30 31 1 0 | |
| 31 34 1 0 | |
| 34 35 1 0 | |
| 34 46 2 0 | |
| 35 36 1 0 | |
| 35 50 1 0 | |
| 36 37 1 0 | |
| 37 38 1 0 | |
| 38 39 1 0 | |
| 39 40 2 0 | |
| 39 47 1 0 | |
| 40 41 1 0 | |
| 40 48 1 0 | |
| 41 42 2 0 | |
| 42 43 1 0 | |
| 42 49 1 0 | |
| 43 44 1 0 | |
| 44 45 1 0 | |
| 50 51 1 0 | |
| 51 52 2 0 | |
| 51 53 1 0 | |
| 10 54 1 0 | |
| 54 11 1 0 | |
| 54 32 1 0 | |
| 54 33 1 0 | |
| 54 47 1 0 | |
| 54 48 1 0 | |
| 2 55 1 1 | |
| 3 56 1 0 | |
| 3 57 1 0 | |
| 4 58 1 0 | |
| 4 59 1 0 | |
| 5 60 1 0 | |
| 5 61 1 0 | |
| 9 62 1 0 | |
| 13 63 1 6 | |
| 14 64 1 0 | |
| 14 65 1 0 | |
| 15 66 1 0 | |
| 15 67 1 0 | |
| 16 68 1 0 | |
| 16 69 1 0 | |
| 18 70 1 0 | |
| 19 71 1 0 | |
| 19 72 1 0 | |
| 19 73 1 0 | |
| 21 74 1 0 | |
| 21 75 1 0 | |
| 22 76 1 0 | |
| 22 77 1 0 | |
| 23 78 1 0 | |
| 24 79 1 0 | |
| 27 80 1 0 | |
| 28 81 1 0 | |
| 29 82 1 0 | |
| 29 83 1 0 | |
| 30 84 1 0 | |
| 30 85 1 0 | |
| 35 86 1 6 | |
| 36 87 1 0 | |
| 36 88 1 0 | |
| 37 89 1 0 | |
| 37 90 1 0 | |
| 38 91 1 0 | |
| 38 92 1 0 | |
| 41 93 1 0 | |
| 43 94 1 0 | |
| 43 95 1 0 | |
| 44 96 1 0 | |
| 44 97 1 0 | |
| 45 98 1 0 | |
| 49 99 1 0 | |
| 49100 1 0 | |
| 49101 1 0 | |
| 50102 1 0 | |
| 53103 1 0 | |
| 53104 1 0 | |
| 53105 1 0 | |
| M CHG 4 6 1 25 1 39 1 54 7 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |