| 6e3n_ligand |
| RDKit 3D |
|
|
| 28 29 0 0 0 0 0 0 0 0999 V2000 |
| 4.1894 1.6851 -1.1977 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 2.9533 1.6834 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3447 2.4946 -2.2672 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1686 0.5325 -0.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8760 0.6352 -0.7545 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0022 -0.6639 -0.4978 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 3.9384 -0.3243 0.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1487 -1.8306 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5917 -2.9602 0.1727 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7119 -1.5934 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1921 -0.4109 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2557 -0.2100 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1836 -0.9487 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5557 -0.7968 -0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0190 0.1010 0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1122 0.8493 1.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7271 0.7012 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7832 1.5525 1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5564 -0.9967 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4279 0.4451 0.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1396 -2.3978 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8339 -1.6354 -1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2584 -1.3690 -1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0866 0.2315 0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4907 1.5611 1.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3013 2.0344 2.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3527 2.3397 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0190 0.9457 2.2601 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 |
|
|
| $$$$ |
|
|
