| 6c85_ligand | |
| RDKit 3D | |
| 16 16 0 0 0 0 0 0 0 0999 V2000 | |
| -0.6214 2.4429 0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3781 1.2418 0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9925 0.6833 0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4541 0.2332 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9925 -0.6833 -0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3781 -1.2418 -0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6214 -2.4429 -0.6561 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4541 -0.2332 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9250 0.1412 1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7005 1.5084 1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6700 -0.3361 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3667 0.7603 -0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9250 -0.1412 -1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7005 -1.5084 -1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6700 0.3361 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3667 -0.7603 0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 2 0 | |
| 2 3 1 0 | |
| 2 4 1 0 | |
| 3 8 1 0 | |
| 4 5 1 0 | |
| 5 6 1 0 | |
| 6 7 2 0 | |
| 6 8 1 0 | |
| 3 9 1 0 | |
| 3 10 1 0 | |
| 4 11 1 0 | |
| 4 12 1 0 | |
| 5 13 1 0 | |
| 5 14 1 0 | |
| 8 15 1 0 | |
| 8 16 1 0 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |