| 6bqd_ligand | |
| RDKit 3D | |
| 46 48 0 0 0 0 0 0 0 0999 V2000 | |
| -3.8347 1.0025 0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3281 -0.5062 -1.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5881 0.0056 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6540 -0.7734 -0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0233 -1.4621 -1.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3254 -2.3328 -2.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2095 -2.6932 -3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3048 -1.3158 -2.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4283 0.2256 1.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8908 -0.2368 3.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2858 0.5458 2.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8899 0.1553 -0.4338 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4110 -2.0694 -3.3499 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4623 -0.4158 -2.0599 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6830 -0.8351 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8537 -1.4100 1.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1211 -1.4866 1.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2301 -0.9824 1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0639 -0.3902 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8005 -0.3332 -0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2327 0.1169 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4044 -0.3179 -1.8734 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0846 1.0357 -0.1259 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7247 1.8641 1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3011 1.4100 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3145 1.9048 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6382 1.3302 -0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3686 0.5602 0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7012 -2.6665 -2.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0875 -3.3396 -4.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0197 -0.6441 1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1033 -0.6029 4.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4628 -1.0985 3.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5631 0.4024 4.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7024 1.4189 3.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2499 -2.1457 -3.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0011 -1.8236 1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2431 -1.9533 2.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2201 -1.0653 1.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6955 0.0987 -1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4252 1.6576 1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8060 2.9164 0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7034 1.6924 1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1273 2.3537 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5975 0.6481 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1088 1.5366 -0.0990 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 | |
| $$$$ | |