| 5ze6_ligand | |
| RDKit 3D | |
| 58 58 0 0 0 0 0 0 0 0999 V2000 | |
| -7.1665 1.9041 3.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2759 -1.4191 2.8599 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 4.3904 -1.5122 1.6196 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3409 -0.3497 1.9862 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1762 -0.2967 -1.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6262 -0.1429 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8984 -0.8019 -1.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0914 2.1514 2.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1316 1.0882 1.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1877 1.3741 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7071 1.3771 0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7652 1.5755 -0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8113 0.4777 -1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5360 -0.9418 -0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1804 -1.1791 -0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0007 -1.3402 -1.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7201 -0.0314 -1.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7526 -0.1948 -2.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8949 -1.1693 -2.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8479 -0.6863 -1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8518 -1.6968 -1.1337 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6432 -1.3595 1.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.7983 -0.5060 0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0577 -1.1407 -0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4905 -1.0104 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1098 2.6633 4.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.1660 1.9506 3.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0431 0.9209 4.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.6745 -0.7602 2.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.8170 -0.0312 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.6166 0.2473 -0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5476 -0.9529 -2.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2380 3.1458 2.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1135 2.1505 3.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.1525 1.0194 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8951 0.1063 2.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4493 2.3374 -0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3710 0.6051 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5203 2.1971 1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4576 0.4511 1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0002 2.5349 -0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7402 1.6736 0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1095 0.7307 -2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7973 0.4864 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6433 -1.6374 -1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3256 -1.2228 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2724 -2.1283 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9659 -0.4190 0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7243 -2.0101 -0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3301 -1.8447 -2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0015 0.7255 -1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2009 0.3715 -0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1727 0.7908 -2.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2317 -0.5316 -3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4699 -1.3165 -3.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5110 -2.1645 -2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3109 -0.5540 -0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2766 0.2806 -1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8 1 1 0 | |
| 22 2 1 0 | |
| 22 3 2 0 | |
| 23 4 1 0 | |
| 6 5 2 0 | |
| 5 7 1 0 | |
| 23 6 1 0 | |
| 7 24 2 0 | |
| 9 8 1 0 | |
| 10 9 1 0 | |
| 11 10 1 0 | |
| 12 11 1 0 | |
| 13 12 1 0 | |
| 14 13 1 0 | |
| 15 14 1 0 | |
| 16 15 1 0 | |
| 17 16 1 0 | |
| 18 17 1 0 | |
| 19 18 1 0 | |
| 20 19 1 0 | |
| 21 20 1 0 | |
| 24 21 1 0 | |
| 25 22 1 0 | |
| 23 25 2 0 | |
| 24 25 1 0 | |
| 1 26 1 0 | |
| 1 27 1 0 | |
| 1 28 1 0 | |
| 4 29 1 0 | |
| 5 30 1 0 | |
| 6 31 1 0 | |
| 7 32 1 0 | |
| 8 33 1 0 | |
| 8 34 1 0 | |
| 9 35 1 0 | |
| 9 36 1 0 | |
| 10 37 1 0 | |
| 10 38 1 0 | |
| 11 39 1 0 | |
| 11 40 1 0 | |
| 12 41 1 0 | |
| 12 42 1 0 | |
| 13 43 1 0 | |
| 13 44 1 0 | |
| 14 45 1 0 | |
| 14 46 1 0 | |
| 15 47 1 0 | |
| 15 48 1 0 | |
| 16 49 1 0 | |
| 16 50 1 0 | |
| 17 51 1 0 | |
| 17 52 1 0 | |
| 18 53 1 0 | |
| 18 54 1 0 | |
| 19 55 1 0 | |
| 19 56 1 0 | |
| 20 57 1 0 | |
| 20 58 1 0 | |
| M CHG 1 2 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |