| 6e3n_ligand |
| RDKit 3D |
|
|
| 28 29 0 0 0 0 0 0 0 0999 V2000 |
| 4.1567 1.6324 -1.5535 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 2.9306 1.5069 -1.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3146 2.0796 -2.8242 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1718 0.5040 -1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8803 0.6207 -0.8830 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0296 -0.5710 -0.3980 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 3.9456 -0.0137 0.5389 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1973 -1.6492 0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6612 -2.7094 0.6889 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7571 -1.4016 0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2204 -0.3009 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2356 -0.0947 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0598 -0.2166 -1.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4432 -0.0702 -0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0215 0.2033 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2161 0.3475 1.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8191 0.2183 1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9895 0.4109 2.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6015 -1.0546 -1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4156 0.6817 0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1941 -2.1331 0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6113 -0.4156 -2.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0617 -0.1623 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0983 0.3204 0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6841 0.5785 2.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6689 -0.5572 2.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1121 1.0320 2.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5607 0.9235 3.3387 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 |
| 6 19 1 6 |
| 7 20 1 0 |
| 10 21 1 0 |
| 13 22 1 0 |
| 14 23 1 0 |
| 15 24 1 0 |
| 16 25 1 0 |
| 18 26 1 0 |
| 18 27 1 0 |
| 18 28 1 0 |
| M CHG 1 1 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
