| 6e3p_ligand |
| RDKit 3D |
|
|
| 30 32 0 0 0 0 0 0 0 0999 V2000 |
| 4.1804 1.9262 1.9437 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 3.8609 0.7654 2.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3039 0.1285 3.3454 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8554 -0.0201 1.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9822 0.6170 0.7803 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9676 -1.5214 1.6320 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 2.6609 -1.9454 2.9565 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0771 -2.2382 0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1165 -3.4530 0.4334 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0819 -1.4401 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0852 -0.1082 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0661 0.6685 -0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3062 0.4137 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4665 1.7001 -1.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4801 2.4378 -2.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8393 2.1636 -2.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2711 1.1617 -1.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7008 0.9291 -1.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6851 1.2811 -1.8573 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8507 0.8589 -1.2654 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6065 0.2682 -0.1058 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2751 0.3204 0.0345 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0016 -1.8054 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2865 -1.4179 3.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3896 -1.9857 -0.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6024 -0.3751 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5252 1.9345 -1.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1565 3.2345 -2.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5656 2.7555 -2.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8447 -0.0486 0.8720 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 11 1 0 |
| 6 7 1 0 |
| 6 8 1 0 |
| 8 9 2 0 |
| 8 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 2 0 |
| 12 14 1 0 |
| 13 17 1 0 |
| 14 15 2 0 |
| 15 16 1 0 |
| 16 17 2 0 |
| 17 18 1 0 |
| 18 19 2 0 |
| 18 22 1 0 |
| 19 20 1 0 |
| 20 21 2 0 |
| 21 22 1 0 |
| 6 23 1 6 |
| 7 24 1 0 |
| 10 25 1 0 |
| 13 26 1 0 |
| 14 27 1 0 |
| 15 28 1 0 |
| 16 29 1 0 |
| 22 30 1 0 |
| M CHG 1 1 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
