| 5zcu_ligand |
| RDKit 3D |
|
|
| 35 37 0 0 0 0 0 0 0 0999 V2000 |
| -0.6070 -1.6228 -0.1293 S 0 0 0 0 0 6 0 0 0 0 0 0 |
| -3.2307 4.2328 0.7258 Br 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5651 2.4677 0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9797 -1.3446 0.2952 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6131 -1.9446 -1.5398 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2840 1.4863 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6227 -1.2354 1.0073 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1486 -2.5142 0.8709 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7056 0.1945 -0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4185 -0.0463 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7455 0.9391 0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3178 2.1919 0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4600 -0.7783 -1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7146 -0.5019 -1.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2636 0.7575 -1.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5593 1.7342 -0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9228 -0.9313 -0.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3030 -0.6539 -0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8629 -1.0104 1.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8141 -0.2382 0.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4776 0.3382 -0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2074 0.1269 -0.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3682 -1.9716 1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2214 0.7456 1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7846 2.9486 1.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0878 -1.7915 -1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2562 -1.2763 -2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2404 0.9839 -1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0368 2.7065 -0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0303 -1.7338 -1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5456 -0.0293 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0802 -1.4847 2.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7958 -0.0924 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2013 0.9458 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9347 0.5655 -1.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4 1 1 0 |
| 1 5 2 0 |
| 1 8 2 0 |
| 1 10 1 0 |
| 3 2 1 0 |
| 6 3 2 0 |
| 12 3 1 0 |
| 17 4 1 0 |
| 9 6 1 0 |
| 6 16 1 0 |
| 18 7 2 0 |
| 7 19 1 0 |
| 10 9 2 0 |
| 9 13 1 0 |
| 10 11 1 0 |
| 11 12 2 0 |
| 13 14 2 0 |
| 14 15 1 0 |
| 16 15 2 0 |
| 17 18 1 0 |
| 18 22 1 0 |
| 19 20 2 0 |
| 20 21 1 0 |
| 21 22 2 0 |
| 4 23 1 0 |
| 11 24 1 0 |
| 12 25 1 0 |
| 13 26 1 0 |
| 14 27 1 0 |
| 15 28 1 0 |
| 16 29 1 0 |
| 17 30 1 0 |
| 17 31 1 0 |
| 19 32 1 0 |
| 20 33 1 0 |
| 21 34 1 0 |
| 22 35 1 0 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
