| 6e3o_ligand | |
| RDKit 3D | |
| 31 32 0 0 0 0 0 0 0 0999 V2000 | |
| 2.9799 0.7435 -2.7374 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 3.3957 0.6293 -1.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5302 0.9738 -1.0791 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4866 -0.0305 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1927 0.0098 -0.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2066 -0.6908 0.6310 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 3.9035 0.2707 1.4172 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2664 -1.4942 1.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6431 -2.2590 2.3956 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8211 -1.3283 1.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4009 -0.5905 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0613 -0.4455 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7170 -1.3490 -0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0983 -1.2863 -0.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8409 -0.3154 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2023 0.5976 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8104 0.5467 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1667 1.5971 1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7528 2.8281 0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9362 -1.3952 0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4670 0.7429 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1584 -1.8087 1.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1390 -2.0967 -1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5868 -1.9864 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9152 -0.2561 -0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7945 1.3659 1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8732 1.8946 2.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3023 1.1870 2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6153 3.2924 0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0210 2.5800 0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3015 3.5710 1.5087 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 | |
| $$$$ | |