| 6d5w_ligand |
| RDKit 3D |
|
|
| 38 41 0 0 0 0 0 0 0 0999 V2000 |
| 4.4167 -0.9345 -1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0399 2.3596 -0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4801 0.8404 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3295 -1.7472 -0.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7241 3.0003 -1.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0318 2.5669 -2.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0357 -0.4335 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0208 0.4516 0.7124 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1488 -0.2398 0.1977 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5406 1.2919 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8433 0.8633 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9972 -1.4219 1.9046 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 1.2738 0.5778 1.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3738 -0.9967 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3640 0.0411 0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3962 -1.4010 -1.9432 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1661 -2.2868 2.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6094 1.4810 -1.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3052 -1.2637 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5023 0.3532 -0.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4724 -1.6042 1.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0443 2.6986 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5700 1.8497 0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2925 -2.7528 -1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3042 3.8484 -2.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5965 3.0894 -3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1545 -1.5604 2.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4382 1.6335 1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2753 0.0330 2.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2346 -0.3431 0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3740 -1.7799 -0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1949 -2.5700 3.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0084 -3.1958 1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6123 1.1500 -1.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4689 -1.9209 0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3670 0.9664 -0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3089 -2.3082 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6711 -0.8001 2.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 4 2 0 |
| 1 16 1 0 |
| 20 1 1 0 |
| 2 5 2 0 |
| 10 2 1 0 |
| 15 3 1 0 |
| 3 20 2 0 |
| 4 19 1 0 |
| 5 6 1 0 |
| 18 6 2 0 |
| 8 7 1 0 |
| 7 9 1 0 |
| 7 12 2 0 |
| 8 10 1 0 |
| 13 8 1 0 |
| 11 9 1 0 |
| 9 14 1 0 |
| 10 11 2 0 |
| 11 18 1 0 |
| 12 17 1 0 |
| 13 15 1 0 |
| 14 21 1 0 |
| 15 19 2 0 |
| 17 21 1 0 |
| 2 22 1 0 |
| 3 23 1 0 |
| 4 24 1 0 |
| 5 25 1 0 |
| 6 26 1 0 |
| 12 27 1 0 |
| 13 28 1 0 |
| 13 29 1 0 |
| 14 30 1 0 |
| 14 31 1 0 |
| 17 32 1 0 |
| 17 33 1 0 |
| 18 34 1 0 |
| 19 35 1 0 |
| 20 36 1 0 |
| 21 37 1 0 |
| 21 38 1 0 |
| M CHG 1 12 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
