| 6ahs_ligand | |
| RDKit 3D | |
| 44 47 0 0 0 0 0 0 0 0999 V2000 | |
| 3.6245 1.1254 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6756 -0.1621 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4679 1.6310 0.6851 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -4.3581 0.4763 0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2765 -3.9365 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4071 3.2990 -0.8773 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4307 1.8765 -1.1610 S 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 2.6453 1.3785 -2.5085 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7074 0.4596 -0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5304 1.1889 1.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2871 2.0221 2.1548 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5085 0.5600 2.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5740 -0.1155 1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9173 1.2478 -0.7064 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1175 2.0195 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5847 -0.0881 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2826 -1.2356 -1.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7120 -0.1614 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3066 -1.4362 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6132 -2.5948 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6638 -2.4804 -0.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1556 1.1780 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6025 1.2372 -0.2067 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7902 1.0619 2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9290 0.2100 1.8094 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.6445 -0.0903 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5101 -0.6794 -0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4620 2.7272 0.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8403 -4.1502 -1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5352 -4.7280 -0.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9609 -3.9653 0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8068 0.4180 -1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4514 0.5977 3.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3282 -0.5973 2.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0353 3.0987 -0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2692 -1.1794 -1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3166 -1.5191 0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1941 -3.3709 -1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0898 1.8665 2.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9676 0.5016 2.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6248 0.0839 2.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8509 0.2777 -0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5744 -1.1816 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4625 0.2013 0.6877 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 | |
| $$$$ | |