| 5zcu_ligand |
| RDKit 3D |
|
|
| 35 37 0 0 0 0 0 0 0 0999 V2000 |
| -0.3766 -1.2001 -2.5142 S 0 0 0 0 0 6 0 0 0 0 0 0 |
| -2.6688 4.1579 0.3258 Br 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0542 2.5027 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9348 -1.6380 -1.5746 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1615 -0.7161 -3.7719 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1368 1.2690 0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5255 -1.3558 1.0085 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3306 -2.2869 -2.4891 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6655 0.0801 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0929 0.1976 -1.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0404 1.4306 -2.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5216 2.5765 -1.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8002 -1.1407 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3344 -1.2009 1.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7640 -0.0424 2.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6706 1.1714 1.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9848 -0.6429 -1.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2551 -0.5409 0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7713 -1.2776 2.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7177 -0.4336 2.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4466 0.3931 2.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2161 0.3439 0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7000 -2.1823 -0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6219 1.5107 -3.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4745 3.5252 -2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4939 -2.0892 -0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4131 -2.1579 2.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1773 -0.0750 3.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0284 2.0543 2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7211 0.3497 -1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9029 -0.9648 -1.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1750 -1.9447 2.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8839 -0.4227 3.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1990 1.0663 2.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7877 0.9787 0.0096 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 |
|
|
| $$$$ |
|
|
