| 6cyh_ligand |
| RDKit 3D |
|
|
| 41 43 0 0 0 0 0 0 0 0999 V2000 |
| 2.9111 2.3896 1.9052 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 3.1239 2.9581 0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7230 1.9175 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7866 0.9221 -0.9291 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0711 0.0511 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0374 0.2054 1.0871 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3512 -1.0819 -0.8823 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 0.5204 -1.8434 0.0031 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4358 -0.5361 -1.9698 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.1410 -0.2374 -3.1772 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5443 -1.6843 -2.1451 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 0.0546 -2.6868 -2.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6724 -2.2360 -0.7185 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.8145 -1.8203 0.0662 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3559 -2.5713 1.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3922 -1.9811 1.6379 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5368 -0.7997 0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5518 -0.6713 -0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3847 0.3591 -0.8771 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3323 1.3012 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3257 1.3170 0.2284 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4607 0.2530 1.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4974 0.2577 1.9679 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7835 2.1363 2.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3741 1.4959 1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3703 3.0058 2.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8045 3.8041 0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1528 3.3181 0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1144 2.4404 -1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5539 1.3816 0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8593 0.6744 -1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1221 -1.7473 -1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0537 0.3789 -1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4892 0.1362 -3.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4845 -1.3987 -2.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5584 -2.2238 -3.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6899 -3.3326 -0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9514 -3.5334 1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2885 2.1653 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4075 -0.3976 2.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8998 1.1680 2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 5 6 2 0 |
| 5 7 1 0 |
| 7 8 1 0 |
| 7 9 1 0 |
| 8 13 1 0 |
| 9 10 1 0 |
| 9 11 1 0 |
| 11 12 1 0 |
| 11 13 1 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 14 18 1 0 |
| 15 16 2 0 |
| 16 17 1 0 |
| 17 18 2 0 |
| 17 22 1 0 |
| 18 19 1 0 |
| 19 20 2 0 |
| 20 21 1 0 |
| 21 22 2 0 |
| 22 23 1 0 |
| 1 24 1 0 |
| 1 25 1 0 |
| 1 26 1 0 |
| 2 27 1 0 |
| 2 28 1 0 |
| 3 29 1 0 |
| 3 30 1 0 |
| 4 31 1 0 |
| 7 32 1 6 |
| 9 33 1 1 |
| 10 34 1 0 |
| 11 35 1 6 |
| 12 36 1 0 |
| 13 37 1 6 |
| 15 38 1 0 |
| 20 39 1 0 |
| 23 40 1 0 |
| 23 41 1 0 |
| M CHG 1 1 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
