| 6dz0_ligand |
| RDKit 3D |
|
|
| 48 50 0 0 0 0 0 0 0 0999 V2000 |
| -7.4606 0.5316 -0.6418 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1211 0.8712 -0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6471 1.7535 -1.4805 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3455 2.0896 -1.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4084 1.6385 -0.5732 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2284 0.3556 0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9035 0.7580 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3619 -0.5682 1.3420 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1504 -0.7511 1.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2177 0.0713 1.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7779 0.2203 1.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9375 -0.8308 1.0291 N 0 0 1 0 0 4 0 0 0 0 0 0 |
| -0.8841 -0.7740 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3404 -1.6369 -0.7731 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.0022 -2.9989 -0.4776 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4873 -0.9278 1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3543 -1.1658 0.2703 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 2.1088 0.1175 -0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0973 -0.0682 -1.6204 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5759 -0.9187 -0.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7994 -0.0069 -0.8562 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6587 1.1051 0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9279 1.8252 0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9641 2.4150 0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9183 0.4028 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9513 1.1602 -1.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0151 2.8115 -2.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2228 -1.0565 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0712 -1.4479 2.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6281 0.1159 2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3825 1.1957 1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3748 -1.7437 1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7546 0.2690 -0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8150 -1.2013 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6576 -1.5756 -1.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6528 -3.5716 -0.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7454 -0.0123 2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5204 -1.7809 2.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0788 -1.9565 0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4075 0.9407 -0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7618 0.4341 0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8048 -1.7342 -1.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3544 -1.3797 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0327 0.4253 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6607 -0.6357 -0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8841 1.8192 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3462 0.6789 1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8847 2.9394 0.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 2 0 |
| 2 6 1 0 |
| 3 4 1 0 |
| 4 5 2 0 |
| 5 7 1 0 |
| 6 7 2 0 |
| 6 8 1 0 |
| 7 10 1 0 |
| 8 9 1 0 |
| 9 10 2 0 |
| 10 11 1 0 |
| 11 12 1 0 |
| 12 13 1 0 |
| 12 16 1 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 14 17 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 21 22 1 0 |
| 22 23 1 0 |
| 23 24 3 0 |
| 1 25 1 0 |
| 1 26 1 0 |
| 4 27 1 0 |
| 8 28 1 0 |
| 9 29 1 0 |
| 11 30 1 0 |
| 11 31 1 0 |
| 12 32 1 6 |
| 13 33 1 0 |
| 13 34 1 0 |
| 14 35 1 6 |
| 15 36 1 0 |
| 16 37 1 0 |
| 16 38 1 0 |
| 17 39 1 1 |
| 18 40 1 0 |
| 18 41 1 0 |
| 20 42 1 0 |
| 20 43 1 0 |
| 21 44 1 0 |
| 21 45 1 0 |
| 22 46 1 0 |
| 22 47 1 0 |
| 24 48 1 0 |
| M CHG 1 12 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
