| 6e13_ligand | |
| RDKit 3D | |
| 37 37 0 0 0 0 0 0 0 0999 V2000 | |
| -3.6651 1.0362 -1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2286 0.0985 -2.1828 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.8656 -1.3325 -1.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4774 -1.5373 -1.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0465 -0.8152 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2498 -0.9730 0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9437 1.1256 0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7419 1.9846 1.9068 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.8873 2.6218 1.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0986 -1.9063 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6659 -2.6572 -1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6088 -2.4779 -1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1047 0.7687 -2.9630 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 3.3482 1.1254 3.0129 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -4.3963 0.5637 -0.1313 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -3.1361 2.1839 -1.1967 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5735 3.3110 0.0818 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 5.0135 2.2845 1.5731 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3716 -2.1098 0.3172 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5439 -3.5643 -1.7755 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7596 0.0400 1.8231 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0794 0.0733 -2.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5914 -1.7244 -1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9691 -1.9655 -2.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7242 -0.1194 0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6204 0.5098 0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3720 1.7570 0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1341 2.7515 2.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9338 -3.0686 -2.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1716 0.5141 -2.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1998 0.7542 -3.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2216 1.7618 -2.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3706 1.1869 2.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0445 0.1485 2.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2260 1.5383 3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7412 -2.8091 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0743 -4.1086 -2.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2 1 1 0 | |
| 1 15 1 0 | |
| 1 16 2 0 | |
| 3 2 1 0 | |
| 2 13 1 0 | |
| 4 3 1 0 | |
| 5 4 2 0 | |
| 4 12 1 0 | |
| 6 5 1 0 | |
| 6 10 2 0 | |
| 21 6 1 0 | |
| 7 8 1 0 | |
| 7 21 1 0 | |
| 8 9 1 0 | |
| 8 14 1 0 | |
| 9 17 1 0 | |
| 9 18 2 0 | |
| 10 11 1 0 | |
| 10 19 1 0 | |
| 11 12 2 0 | |
| 11 20 1 0 | |
| 2 22 1 6 | |
| 3 23 1 0 | |
| 3 24 1 0 | |
| 5 25 1 0 | |
| 7 26 1 0 | |
| 7 27 1 0 | |
| 8 28 1 1 | |
| 12 29 1 0 | |
| 13 30 1 0 | |
| 13 31 1 0 | |
| 13 32 1 0 | |
| 14 33 1 0 | |
| 14 34 1 0 | |
| 14 35 1 0 | |
| 19 36 1 0 | |
| 20 37 1 0 | |
| M CHG 4 13 1 14 1 15 -1 17 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |