| 6e4c_ligand | |
| RDKit 3D | |
| 34 36 0 0 0 0 0 0 0 0999 V2000 | |
| -5.4583 1.6440 -1.0707 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -4.2923 1.2986 -1.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7373 1.5381 -2.5636 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5227 0.4909 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2246 0.4020 -0.5067 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3706 -0.1512 0.6581 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -5.0589 0.8301 1.4262 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5574 -1.0458 1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0503 -1.7845 2.4254 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0923 -1.0153 1.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5427 -0.3120 0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0617 -0.2815 0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6652 0.9252 0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0248 2.2505 0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0661 0.9033 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6357 -1.4836 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0274 -1.4960 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7468 -0.3012 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2108 -0.3477 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9397 -1.4112 0.0317 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2788 -0.9686 -0.2068 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1992 0.3790 -0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1394 1.1082 -0.7218 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9175 0.7575 -0.3378 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1120 -0.7901 0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5541 1.3489 0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5255 -1.5662 2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4782 2.5882 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6845 3.0185 0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7917 2.1811 1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6056 1.8424 0.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0906 -2.4206 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5372 -2.4414 -0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6005 1.6906 -0.5290 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 16 1 0 | |
| 13 14 1 0 | |
| 13 15 1 0 | |
| 15 18 2 0 | |
| 16 17 2 0 | |
| 17 18 1 0 | |
| 18 19 1 0 | |
| 19 20 2 0 | |
| 19 24 1 0 | |
| 20 21 1 0 | |
| 21 22 1 0 | |
| 22 23 2 0 | |
| 22 24 1 0 | |
| 6 25 1 6 | |
| 7 26 1 0 | |
| 10 27 1 0 | |
| 14 28 1 0 | |
| 14 29 1 0 | |
| 14 30 1 0 | |
| 15 31 1 0 | |
| 16 32 1 0 | |
| 17 33 1 0 | |
| 24 34 1 0 | |
| M CHG 1 1 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |