| 6ahs_ligand |
| RDKit 3D |
|
|
| 44 47 0 0 0 0 0 0 0 0999 V2000 |
| 3.3285 1.2471 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4993 0.5545 -0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7659 0.3988 0.3315 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -4.0545 2.2010 0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3627 -4.7434 -0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8650 0.7379 2.5048 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2742 1.4516 1.3859 S 0 0 0 0 0 6 0 0 0 0 0 0 |
| 1.9279 2.8565 1.4835 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6234 0.7486 0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9248 1.5757 -1.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3892 2.2473 -1.7189 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8131 1.3757 -2.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0926 0.8642 -2.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8447 0.5977 1.0419 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3887 1.1819 0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7794 -0.7512 0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7518 -1.7656 0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5615 -1.0118 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9293 -2.3276 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0297 -3.3521 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3563 -3.0587 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2990 0.2146 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3022 1.5654 1.1059 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0848 0.6980 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1262 1.6970 -1.0252 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7595 3.4677 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4996 0.1659 -0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3156 -0.4913 0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2697 -5.4880 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3981 -4.9562 -0.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2639 -4.8590 -1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9618 0.5073 1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5162 1.6257 -3.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7736 0.7173 -2.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5320 2.2347 1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7866 -1.5778 1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9641 -2.5503 -0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1062 -3.8482 0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4390 -0.1913 -1.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2269 1.1162 -1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2249 2.3655 -1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7073 3.5414 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9545 3.4894 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1278 4.3192 0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7 1 1 0 |
| 1 9 1 0 |
| 1 10 2 0 |
| 9 2 2 0 |
| 2 13 1 0 |
| 22 3 1 0 |
| 3 23 1 0 |
| 3 24 1 0 |
| 23 4 2 0 |
| 4 25 1 0 |
| 4 26 1 0 |
| 20 5 1 0 |
| 7 6 2 0 |
| 7 8 2 0 |
| 14 7 1 0 |
| 10 11 1 0 |
| 10 12 1 0 |
| 12 13 2 0 |
| 15 14 1 0 |
| 16 14 1 0 |
| 22 15 2 0 |
| 16 17 1 0 |
| 18 16 2 0 |
| 17 21 2 0 |
| 19 18 1 0 |
| 18 22 1 0 |
| 19 20 2 0 |
| 20 21 1 0 |
| 24 25 1 0 |
| 2 27 1 0 |
| 3 28 1 1 |
| 5 29 1 0 |
| 5 30 1 0 |
| 5 31 1 0 |
| 9 32 1 0 |
| 12 33 1 0 |
| 13 34 1 0 |
| 15 35 1 0 |
| 17 36 1 0 |
| 19 37 1 0 |
| 21 38 1 0 |
| 24 39 1 0 |
| 24 40 1 0 |
| 25 41 1 0 |
| 26 42 1 0 |
| 26 43 1 0 |
| 26 44 1 0 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
