| 6ahs_ligand | |
| RDKit 3D | |
| 44 47 0 0 0 0 0 0 0 0999 V2000 | |
| 3.0963 1.5894 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7375 3.6849 -1.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4485 0.6360 0.1867 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -3.2372 2.5973 -0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4112 -4.9482 0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4721 1.7061 2.4034 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6609 0.7230 1.3502 S 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 3.5814 -0.3843 1.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3860 2.9576 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1693 0.9495 -1.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8438 -0.7266 -1.6373 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5308 1.6918 -2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8121 3.0525 -2.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0985 0.1094 1.0645 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0500 0.9392 0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7004 -1.2108 1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3768 -2.4155 1.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6633 -1.2006 0.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3554 -2.4305 0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6879 -3.6370 0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6667 -3.6149 1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0707 0.1630 0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6292 2.0842 0.5428 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7435 0.5386 -1.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4896 1.7620 -1.5572 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5810 4.0546 -0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9548 4.7417 -1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1963 0.0665 0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4810 -4.8057 0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3100 -5.4995 1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9976 -5.5467 0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3380 3.4670 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6036 1.2123 -3.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0928 3.6158 -3.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1661 2.0145 0.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4302 -2.4439 1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4132 -2.4386 0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1946 -4.5452 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3362 -0.3473 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8294 0.5359 -1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4689 2.1638 -2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7536 4.6003 -1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4820 4.2067 -1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7436 4.4389 0.4591 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 | |
| $$$$ | |