| 6c85_ligand |
| RDKit 3D |
|
|
| 16 16 0 0 0 0 0 0 0 0999 V2000 |
| -0.6870 2.4340 0.9124 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3728 1.3208 0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9551 0.6921 0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2993 0.5274 -0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0720 -0.9636 -0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3728 -1.3208 -0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6870 -2.4340 -0.9124 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4162 -0.2558 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6957 1.4861 0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8255 0.1597 1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1048 0.8300 -1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3348 0.7784 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3049 -1.2733 0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7114 -1.5227 -0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3506 -0.7417 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5842 0.2836 -1.1746 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 |
|
|
| $$$$ |
|
|
