| 5zxk_ligand |
| RDKit 3D |
|
|
| 24 23 0 0 0 0 0 0 0 0999 V2000 |
| 2.2693 -1.8595 -1.4849 P 0 0 1 0 0 5 0 0 0 0 0 0 |
| 2.1605 -2.7390 -2.7317 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 2.7745 -2.5683 -0.2351 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0751 -0.5280 -1.8519 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1811 1.0112 -1.3791 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| 1.8290 1.6586 -1.6747 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 4.2989 1.6014 -2.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5363 1.0155 0.1042 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1715 -0.7907 1.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6144 0.1724 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5553 -0.7643 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7551 -1.3433 -1.1847 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7772 0.1972 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7749 1.2814 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8097 2.1776 1.4825 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3203 -0.2829 2.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1102 -1.2820 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4310 -1.5770 1.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4045 0.9485 -0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4290 -0.2103 0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3786 -1.5705 0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5287 1.8596 -0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7763 0.8630 0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8692 2.4185 1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 6 |
| 1 3 2 0 |
| 1 4 1 0 |
| 12 1 1 0 |
| 4 5 1 0 |
| 5 6 1 0 |
| 5 7 2 0 |
| 5 8 2 0 |
| 13 9 1 0 |
| 11 10 1 0 |
| 10 13 2 0 |
| 11 12 1 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 9 16 1 0 |
| 9 17 1 0 |
| 9 18 1 0 |
| 10 19 1 0 |
| 11 20 1 0 |
| 11 21 1 0 |
| 14 22 1 0 |
| 14 23 1 0 |
| 15 24 1 0 |
| M CHG 3 2 -1 5 1 6 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
