| 6e6v_ligand |
| RDKit 3D |
|
|
| 18 18 0 0 0 0 0 0 0 0999 V2000 |
| -2.7844 -1.6177 -1.4308 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -2.1080 -1.7152 -0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2528 -2.5506 0.5822 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0096 -0.6846 -0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1580 -1.0654 0.2441 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1837 -0.1553 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4308 -0.6560 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1559 1.0599 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0974 1.5173 -0.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0785 2.5473 -1.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3525 0.7388 -0.5661 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.9648 1.3802 0.5609 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2405 0.0810 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7911 -1.5656 0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2241 -0.8887 2.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9940 1.7414 -0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0350 0.7787 -1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4953 1.0547 1.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 2 0 |
| 2 4 1 0 |
| 4 5 2 0 |
| 4 11 1 0 |
| 5 6 1 0 |
| 6 7 1 0 |
| 6 8 2 0 |
| 8 9 1 0 |
| 9 10 2 0 |
| 9 11 1 0 |
| 11 12 1 0 |
| 7 13 1 0 |
| 7 14 1 0 |
| 7 15 1 0 |
| 8 16 1 0 |
| 11 17 1 6 |
| 12 18 1 0 |
| M CHG 1 1 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
