| 6e13_ligand | |
| RDKit 3D | |
| 37 37 0 0 0 0 0 0 0 0999 V2000 | |
| -3.2207 1.0933 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9508 0.7589 -1.6586 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -2.1921 -0.4259 -0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9374 -1.2212 -0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0635 -0.6702 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2934 -1.3196 0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9597 0.7861 2.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4234 2.1529 2.0079 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 1.7688 2.6994 0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4584 -2.5874 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4426 -3.1722 -0.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7463 -2.4960 -0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5199 2.0026 -0.9012 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 3.9399 2.1641 1.8120 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -3.9610 0.1451 -2.8504 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -3.3289 2.3525 -2.6596 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6221 3.3987 0.0431 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 0.5667 2.4046 0.4493 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6315 -3.2973 0.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6778 -4.4256 -1.2383 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6777 -0.5724 1.5007 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1324 0.5487 -2.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9286 -1.1180 -1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6321 -0.0635 0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1318 0.2896 0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3635 0.6156 3.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8744 0.7232 2.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2343 2.9136 2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5196 -2.9374 -1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6132 2.7654 -1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2178 2.2615 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5576 2.0678 -0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2126 1.2855 1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0580 2.9124 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5135 2.3593 2.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4971 -4.1167 -0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1462 -4.7463 -1.6551 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 | |
| $$$$ | |