| 6e13_ligand | |
| RDKit 3D | |
| 37 37 0 0 0 0 0 0 0 0999 V2000 | |
| -3.3115 1.4235 -2.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9976 0.9300 -1.5288 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.8648 -0.5865 -1.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6579 -1.2136 -1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6374 -0.7131 -1.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7512 -1.2702 -0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9314 1.2047 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4985 1.2646 1.2377 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 1.3623 2.3141 1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5665 -2.3954 0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2916 -2.9132 0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8186 -2.3317 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9879 1.3152 -0.0696 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 3.6564 1.7053 2.1208 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -3.5559 1.0206 -3.3565 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -3.9527 2.1880 -1.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2475 2.0005 0.8145 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 1.7707 3.3569 1.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6136 -3.0175 0.8265 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1151 -4.0022 1.2024 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3730 -0.5096 -0.7292 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1646 1.4756 -1.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7794 -1.0687 -1.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8086 -0.8386 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7686 0.1272 -1.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8247 1.8179 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1762 1.5891 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1412 0.3189 1.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8011 -2.7649 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6664 2.1046 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0642 1.6684 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3551 0.6020 0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5925 1.5749 1.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4536 2.7296 2.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5666 1.3256 3.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4229 -2.6795 0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0152 -4.2667 1.4772 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 | |
| $$$$ | |