| 5zlf_ligand |
| RDKit 3D |
|
|
| 44 47 0 0 0 0 0 0 0 0999 V2000 |
| 4.5558 0.1448 0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8801 0.3512 1.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7497 1.0962 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3172 1.6290 -0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0062 1.4347 -1.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1683 0.6898 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8716 0.3969 -0.7531 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3821 -0.3414 0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4018 -0.5210 1.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1305 -1.2448 2.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8478 -1.7546 2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8560 -1.5565 1.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0690 -0.8401 0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0101 -0.6389 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3666 -0.6940 -0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2412 -0.4071 -1.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7999 -0.2041 -2.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1257 -0.2735 -2.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4211 -0.5552 -1.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8590 -0.7261 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5598 0.4770 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8043 -0.0459 2.0782 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -3.4990 -0.7908 2.4394 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -4.8521 1.3277 2.7694 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0316 -0.9354 2.2539 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0311 1.1081 -1.3671 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -6.9890 -0.0718 -1.5854 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -6.6870 2.3855 -0.8281 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2177 1.3823 -2.6563 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7157 1.6677 0.2091 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2150 -0.0534 2.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7708 1.2669 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0031 2.2110 -1.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6410 1.8442 -2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8903 -1.3883 3.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5911 -2.2936 3.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1371 -1.9632 1.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6625 -0.8207 0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2552 -0.3648 -2.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5870 0.0223 -3.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9506 -0.0818 -3.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9023 -1.5953 0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4530 -1.0562 -1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1427 1.9959 1.0396 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 |
|
|
| $$$$ |
|
|
