| 5ze6_ligand | |
| RDKit 3D | |
| 58 58 0 0 0 0 0 0 0 0999 V2000 | |
| 7.6191 2.6953 -1.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1346 3.0871 -0.6473 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -6.0174 4.2644 -0.6491 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2568 3.0825 -0.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.9019 -0.1845 0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.4413 0.9381 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.5394 -0.2283 0.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2901 1.2652 -1.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6554 0.4968 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3072 -0.9396 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7460 -1.7705 0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2161 -1.8518 0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5223 -0.5015 0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0298 -0.6285 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2074 -1.2298 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3045 -1.2002 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7267 -2.0734 1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2408 -2.2828 1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0350 -1.0259 1.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6430 -0.3171 0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3795 0.8193 0.8859 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3387 3.1047 -0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6189 2.0167 -0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7011 0.8368 0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2385 1.9818 -0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3317 2.7175 -0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.0626 3.2328 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7160 3.2356 -0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2915 4.8998 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6230 3.8301 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.5463 -1.0151 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.5056 0.9846 -0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1426 -1.0894 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.2117 0.7597 -1.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6078 1.2760 -2.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7574 1.0284 -0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3531 0.4774 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6091 -0.9356 -1.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2251 -1.4253 -1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1137 -2.7988 0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1386 -1.4103 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9434 -2.5199 1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8560 -2.3287 -0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6398 0.1108 -0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0036 0.0367 1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6443 0.3727 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9126 -1.2291 1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5187 -2.2646 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4079 -0.6675 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8125 -1.5506 -0.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6180 -0.1634 0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3550 -1.6393 2.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2565 -3.0615 1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6306 -2.7417 0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4017 -3.0161 2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8567 -1.3160 2.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4274 -0.3228 2.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8584 0.0651 -0.2402 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 | |
| $$$$ | |