| 6bqd_ligand | |
| RDKit 3D | |
| 46 48 0 0 0 0 0 0 0 0999 V2000 | |
| -3.5292 -0.5495 1.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4186 -1.0739 -0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3498 -1.0134 0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5488 -1.3072 -0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1656 -1.5067 -1.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6535 -1.8058 -3.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7372 -1.8707 -4.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5337 -1.3880 -1.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5087 0.9410 1.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5548 3.2183 1.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5762 1.7371 1.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7431 -0.8937 0.3344 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8766 -1.6144 -3.2907 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6349 -0.9871 -1.0338 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9014 -1.4211 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5500 -2.6553 -0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9175 -2.7808 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6526 -1.6699 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0173 -0.4304 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6447 -0.3061 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7680 0.7551 0.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3286 1.3456 1.7524 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9303 1.1304 0.0968 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7245 2.2094 0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2595 0.7378 -1.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5543 -0.9207 1.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1055 -1.0453 2.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9423 -0.8579 1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3810 -1.9553 -3.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7970 -2.0719 -5.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5599 1.3753 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2775 3.5049 2.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8296 3.7182 0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5685 3.5823 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5247 1.3054 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8242 -1.5864 -3.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9858 -3.5320 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4037 -3.7471 -0.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7110 -1.7720 0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1647 0.6617 0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7852 1.9937 0.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4580 3.1419 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5455 2.3229 1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5070 0.0879 -1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2270 0.2279 -1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3321 1.6395 -1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 9 1 0 | |
| 12 1 1 0 | |
| 2 8 1 0 | |
| 12 2 1 0 | |
| 2 14 2 0 | |
| 3 4 2 0 | |
| 3 12 1 0 | |
| 4 5 1 0 | |
| 4 15 1 0 | |
| 5 6 1 0 | |
| 5 8 2 0 | |
| 6 7 2 0 | |
| 7 13 1 0 | |
| 8 13 1 0 | |
| 9 11 2 0 | |
| 11 10 1 0 | |
| 15 16 2 0 | |
| 15 20 1 0 | |
| 16 17 1 0 | |
| 17 18 2 0 | |
| 18 19 1 0 | |
| 19 20 2 0 | |
| 19 21 1 0 | |
| 21 22 2 0 | |
| 21 23 1 0 | |
| 23 24 1 0 | |
| 23 25 1 0 | |
| 1 26 1 0 | |
| 1 27 1 0 | |
| 3 28 1 0 | |
| 6 29 1 0 | |
| 7 30 1 0 | |
| 9 31 1 0 | |
| 10 32 1 0 | |
| 10 33 1 0 | |
| 10 34 1 0 | |
| 11 35 1 0 | |
| 13 36 1 0 | |
| 16 37 1 0 | |
| 17 38 1 0 | |
| 18 39 1 0 | |
| 20 40 1 0 | |
| 24 41 1 0 | |
| 24 42 1 0 | |
| 24 43 1 0 | |
| 25 44 1 0 | |
| 25 45 1 0 | |
| 25 46 1 0 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |