| 6e3o_ligand |
| RDKit 3D |
|
|
| 31 32 0 0 0 0 0 0 0 0999 V2000 |
| 4.6256 1.2647 -0.2364 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 3.4147 1.3797 -0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9222 2.2560 -1.3869 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5020 0.2822 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2238 0.5099 0.0281 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1983 -1.0165 0.2402 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 4.1201 -0.8440 1.3116 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2165 -2.1208 0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5386 -3.3012 0.7256 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8008 -1.7574 0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4172 -0.5008 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0208 -0.1866 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5447 -0.1656 1.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8931 0.1091 2.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7379 0.3724 1.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2337 0.3661 -0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8767 0.0879 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3891 0.1265 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1069 1.5454 -2.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7542 -1.3382 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6902 -0.0937 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1279 -2.5394 1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8895 -0.3492 2.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2760 0.1282 3.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7863 0.5966 1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9025 0.5915 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4982 -0.4963 -2.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1523 -0.3256 -2.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3473 2.0334 -1.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7465 1.5332 -3.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0108 2.1630 -2.3098 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 17 1 0 |
| 13 14 1 0 |
| 14 15 2 0 |
| 15 16 1 0 |
| 16 17 2 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 6 20 1 6 |
| 7 21 1 0 |
| 10 22 1 0 |
| 13 23 1 0 |
| 14 24 1 0 |
| 15 25 1 0 |
| 16 26 1 0 |
| 18 27 1 0 |
| 18 28 1 0 |
| 19 29 1 0 |
| 19 30 1 0 |
| 19 31 1 0 |
| M CHG 1 1 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
