| 5ze6_ligand | |
| RDKit 3D | |
| 58 58 0 0 0 0 0 0 0 0999 V2000 | |
| 7.5996 1.6950 -1.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1394 1.9340 -2.2655 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -6.3290 3.6396 -1.5081 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9708 3.4100 0.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9650 0.5363 2.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6308 1.6759 1.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9206 0.0068 1.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.8030 1.4159 -0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2566 0.1167 0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4868 -0.1940 1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3267 -1.1813 1.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1963 -0.6747 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0053 -1.6363 0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8731 -1.1294 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6803 -2.0876 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4404 -1.6834 -1.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0742 -0.3125 -1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6619 -0.1078 0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7414 -1.1138 0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9621 -1.1535 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4984 0.1499 -0.3908 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8204 2.3919 -1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2527 2.2883 0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5364 0.6044 0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2088 1.7646 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4706 0.8899 -2.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2635 2.6292 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6673 1.7915 -1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9578 3.9103 -2.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5410 3.8155 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.2529 0.0628 3.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.4414 2.0943 2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4155 -0.8704 1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7397 1.3732 -0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9325 2.2542 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3189 0.2228 0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1877 -0.7225 -0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.1903 -0.6487 2.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1296 0.7286 2.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7102 -2.1296 0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9241 -1.4006 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8714 0.3157 0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5560 -0.5701 -0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3303 -2.6267 0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6357 -1.7527 1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2397 -1.0183 -1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5628 -0.1365 -0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0235 -3.0909 -0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2885 -2.1732 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2188 -2.4550 -1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0459 -1.6924 -2.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8565 -0.1463 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3284 0.4711 -1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0769 0.9065 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8552 -0.1349 1.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3142 -2.1197 0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0624 -0.8386 1.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7161 -1.8649 0.1765 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 | |
| $$$$ | |