| 5zlf_ligand |
| RDKit 3D |
|
|
| 44 47 0 0 0 0 0 0 0 0999 V2000 |
| 4.6674 -0.4494 0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0221 -0.7701 0.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9969 -0.1733 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6386 0.7243 -1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2989 1.0550 -1.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3550 0.4461 -0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0149 0.6405 -0.6549 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4299 -0.1299 0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4214 -0.8276 1.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0430 -1.6931 2.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6872 -1.8251 2.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7252 -1.1103 1.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0531 -0.2286 0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0147 0.5132 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2350 -0.0827 -0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1828 1.8482 -0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8642 2.5611 -1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1014 1.9520 -1.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2947 0.6202 -0.9909 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6492 -0.0418 -1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6925 0.1889 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3098 1.1789 -0.9968 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -5.6489 2.4467 -1.5936 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -7.3575 1.5342 0.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8059 0.2557 -2.1188 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7295 -1.5765 1.1519 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -5.2409 -1.0594 2.5078 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -3.2480 -2.0013 1.2612 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5769 -2.6488 0.4728 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2889 1.1423 1.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3019 -1.4692 1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0441 -0.4167 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4084 1.1740 -1.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9927 1.7446 -2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7814 -2.2560 2.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3533 -2.4904 3.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3303 -1.2435 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4438 -1.1062 -0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1141 2.3671 -0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7446 3.6049 -1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9535 2.5106 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5126 -1.1200 -1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0573 0.2947 -2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7984 0.7331 1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 1 6 1 0 |
| 1 9 1 0 |
| 2 3 1 0 |
| 3 4 2 0 |
| 4 5 1 0 |
| 5 6 2 0 |
| 6 7 1 0 |
| 7 8 1 0 |
| 8 9 2 0 |
| 8 13 1 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 2 0 |
| 13 14 1 0 |
| 14 15 2 0 |
| 14 16 1 0 |
| 15 19 1 0 |
| 16 17 2 0 |
| 17 18 1 0 |
| 18 19 2 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 21 22 1 0 |
| 21 26 1 0 |
| 21 30 1 0 |
| 22 23 1 0 |
| 22 24 2 0 |
| 22 25 2 0 |
| 26 27 1 0 |
| 26 28 2 0 |
| 26 29 2 0 |
| 2 31 1 0 |
| 3 32 1 0 |
| 4 33 1 0 |
| 5 34 1 0 |
| 10 35 1 0 |
| 11 36 1 0 |
| 12 37 1 0 |
| 15 38 1 0 |
| 16 39 1 0 |
| 17 40 1 0 |
| 18 41 1 0 |
| 20 42 1 0 |
| 20 43 1 0 |
| 30 44 1 0 |
| M CHG 4 22 1 23 -1 26 1 27 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
