| 6ahs_ligand |
| RDKit 3D |
|
|
| 44 47 0 0 0 0 0 0 0 0999 V2000 |
| 3.3596 1.1958 -0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6650 0.5271 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6670 0.5512 0.7699 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -4.0689 2.2495 0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2254 -4.5478 1.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6146 2.5962 -1.8718 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9736 1.2149 -1.6146 S 0 0 0 0 0 6 0 0 0 0 0 0 |
| 2.2424 0.2951 -2.7073 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5417 0.5843 -0.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3165 1.7732 0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9516 2.6027 1.3984 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4504 1.7086 1.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6179 1.0856 1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6810 0.5012 -0.7709 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4963 1.1413 -0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6700 -0.7925 -0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6009 -1.8423 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5550 -0.9444 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8381 -2.1792 0.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0938 -3.2277 0.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2904 -3.0540 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2930 0.2811 0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8765 2.0184 0.9975 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7871 0.1136 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7403 1.1930 -0.0432 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6566 3.6259 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5769 0.0504 -0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7923 0.0524 1.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7256 -5.2012 0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8786 -4.4141 2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6865 -5.0410 1.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5994 0.1480 -1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4338 2.1526 2.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4920 1.0457 1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6730 2.1624 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5363 -1.7448 -0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7817 -2.3162 1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0047 -3.8734 0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2186 -0.8512 0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4464 0.0619 -1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3495 1.3963 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1952 4.2327 1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7350 3.5712 0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4746 4.0939 -0.4506 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 |
|
|
| $$$$ |
|
|
