| 6e3m_ligand |
| RDKit 3D |
|
|
| 27 28 0 0 0 0 0 0 0 0999 V2000 |
| -4.2104 -0.4892 2.2736 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -4.5122 -0.5811 1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6832 -0.7752 0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3824 -0.4388 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0513 -0.2559 0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6294 -0.4766 -1.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5848 -0.3332 -2.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2765 -0.1410 -1.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9697 -0.0895 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4281 0.1404 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7477 0.4906 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3997 0.0130 -0.9098 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7230 0.2268 -0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7997 0.0845 -1.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9725 1.0705 -2.4348 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 4.4534 -1.0129 -1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0830 0.5739 0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3718 0.8135 1.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0793 0.7003 1.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4470 1.0474 2.9522 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8908 -0.2555 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6480 -0.6203 -1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7855 -0.3658 -3.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4782 -0.0248 -2.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0254 0.6153 2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3042 1.0161 2.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6351 1.0605 3.4881 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 6 1 0 |
| 5 9 1 0 |
| 6 7 2 0 |
| 7 8 1 0 |
| 8 9 2 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 10 12 1 0 |
| 11 19 1 0 |
| 12 13 2 0 |
| 13 14 1 0 |
| 13 17 1 0 |
| 14 15 1 0 |
| 14 16 2 0 |
| 17 18 1 0 |
| 17 19 2 0 |
| 19 20 1 0 |
| 5 21 1 0 |
| 6 22 1 0 |
| 7 23 1 0 |
| 8 24 1 0 |
| 11 25 1 0 |
| 18 26 1 0 |
| 20 27 1 0 |
| M CHG 2 1 -1 15 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
