| 6bqd_ligand |
| RDKit 3D |
|
|
| 46 48 0 0 0 0 0 0 0 0999 V2000 |
| -3.4117 -0.1937 1.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4146 -1.1193 -0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2835 -0.8422 0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5336 -1.3154 -0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2110 -1.7239 -1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7595 -2.2344 -3.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8827 -2.4379 -3.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5828 -1.6181 -1.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3940 1.3073 1.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4602 3.5539 1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4785 2.0622 1.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6810 -0.7361 0.3115 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9869 -2.0585 -3.1294 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6371 -1.0542 -0.9258 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9275 -1.3983 -0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5615 -2.6498 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9442 -2.7445 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7062 -1.5877 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0780 -0.3371 -0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6974 -0.2381 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8702 0.9070 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7145 1.7716 -0.8097 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7564 1.0359 1.1181 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6360 2.1918 1.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6886 0.2600 2.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4378 -0.5786 1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9411 -0.5295 2.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8294 -0.5232 1.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2616 -2.4293 -3.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9916 -2.8117 -4.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4321 1.7877 1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7997 3.8825 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4601 3.9646 1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1347 3.9721 1.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4409 1.5834 0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9500 -2.0843 -3.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9780 -3.5605 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4252 -3.7195 -0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7851 -1.6604 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2331 0.7450 -0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1961 2.9550 1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6117 1.8915 1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7744 2.6112 0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5741 0.9481 3.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8446 -0.4309 2.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6236 -0.2960 2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 9 1 0 |
| 12 1 1 0 |
| 2 8 1 0 |
| 12 2 1 0 |
| 2 14 2 0 |
| 3 4 2 0 |
| 3 12 1 0 |
| 4 5 1 0 |
| 4 15 1 0 |
| 5 6 1 0 |
| 5 8 2 0 |
| 6 7 2 0 |
| 7 13 1 0 |
| 8 13 1 0 |
| 9 11 2 0 |
| 11 10 1 0 |
| 15 16 2 0 |
| 15 20 1 0 |
| 16 17 1 0 |
| 17 18 2 0 |
| 18 19 1 0 |
| 19 20 2 0 |
| 19 21 1 0 |
| 21 22 2 0 |
| 21 23 1 0 |
| 23 24 1 0 |
| 23 25 1 0 |
| 1 26 1 0 |
| 1 27 1 0 |
| 3 28 1 0 |
| 6 29 1 0 |
| 7 30 1 0 |
| 9 31 1 0 |
| 10 32 1 0 |
| 10 33 1 0 |
| 10 34 1 0 |
| 11 35 1 0 |
| 13 36 1 0 |
| 16 37 1 0 |
| 17 38 1 0 |
| 18 39 1 0 |
| 20 40 1 0 |
| 24 41 1 0 |
| 24 42 1 0 |
| 24 43 1 0 |
| 25 44 1 0 |
| 25 45 1 0 |
| 25 46 1 0 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
