| 6cjp_ligand | |
| RDKit 3D | |
| 61 64 0 0 0 0 0 0 0 0999 V2000 | |
| -0.3848 -1.1139 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5315 -0.6822 -2.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5862 -0.3128 -3.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6522 -1.1781 -1.6726 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.1006 1.0948 0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6163 -0.8809 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3558 -0.8202 -1.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8689 -2.6087 -2.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6508 1.4521 3.8453 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6586 0.5966 3.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5461 0.2228 2.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4971 0.8054 1.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5017 -0.0845 0.9605 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6471 0.4305 0.2552 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -5.5710 1.1004 1.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3784 1.9060 0.6412 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5391 -0.6693 1.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0315 -0.0183 -0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8298 0.2652 -1.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2576 -0.4413 -3.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6596 -0.3115 -2.9089 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -5.5222 -1.4578 -2.7718 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3659 -0.7393 -0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1267 0.6868 -0.6387 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9160 0.2962 0.4505 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2230 0.4264 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6732 -1.5013 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4056 -1.3067 -2.3528 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9647 0.4804 -1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9077 1.1024 -1.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3444 -1.1764 2.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2253 -0.7865 3.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0847 -1.2508 4.9448 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7728 0.0917 4.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3311 -1.5751 -0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3675 -1.9099 0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5004 -1.7239 -2.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9504 -0.1735 -4.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8374 -1.8622 -1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3976 1.1824 1.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8984 2.1110 0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0930 -1.4264 0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2028 -2.6569 -0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.7309 -2.8284 -2.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1028 -3.3632 -2.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5064 1.7029 4.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3426 1.1642 -0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8791 0.3890 2.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4664 1.5000 0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0596 1.9230 1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7884 1.2887 -2.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6413 -0.4030 -4.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1483 0.6564 -2.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3906 -0.4425 -0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4361 -1.5973 0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9327 -2.5142 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4893 1.0175 -2.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6238 2.1140 -1.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1297 -1.8659 2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8119 -1.7204 4.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8433 0.3670 5.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 17 1 0 | |
| 18 1 1 0 | |
| 19 2 2 0 | |
| 2 20 1 0 | |
| 20 3 2 0 | |
| 3 21 1 0 | |
| 21 4 1 0 | |
| 22 4 1 0 | |
| 4 23 1 0 | |
| 25 5 1 0 | |
| 5 26 1 0 | |
| 26 6 2 0 | |
| 6 27 1 0 | |
| 27 7 2 0 | |
| 7 28 1 0 | |
| 7 29 1 0 | |
| 28 8 1 0 | |
| 10 9 1 0 | |
| 11 10 2 0 | |
| 10 34 1 0 | |
| 11 12 1 0 | |
| 17 11 1 0 | |
| 12 13 1 0 | |
| 12 16 2 0 | |
| 13 14 1 0 | |
| 14 15 1 0 | |
| 14 23 1 0 | |
| 17 31 2 0 | |
| 18 19 1 0 | |
| 24 18 2 0 | |
| 21 22 1 0 | |
| 24 25 1 0 | |
| 26 30 1 0 | |
| 29 30 2 0 | |
| 31 32 1 0 | |
| 32 33 1 0 | |
| 32 34 2 0 | |
| 1 35 1 0 | |
| 1 36 1 0 | |
| 2 37 1 0 | |
| 3 38 1 0 | |
| 4 39 1 1 | |
| 5 40 1 0 | |
| 5 41 1 0 | |
| 6 42 1 0 | |
| 8 43 1 0 | |
| 8 44 1 0 | |
| 8 45 1 0 | |
| 9 46 1 0 | |
| 14 47 1 6 | |
| 15 48 1 0 | |
| 15 49 1 0 | |
| 15 50 1 0 | |
| 19 51 1 0 | |
| 20 52 1 0 | |
| 21 53 1 1 | |
| 23 54 1 0 | |
| 23 55 1 0 | |
| 27 56 1 0 | |
| 29 57 1 0 | |
| 30 58 1 0 | |
| 31 59 1 0 | |
| 33 60 1 0 | |
| 34 61 1 0 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |