| 6bqd_ligand | |
| RDKit 3D | |
| 46 48 0 0 0 0 0 0 0 0999 V2000 | |
| -3.4060 -0.7074 1.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3273 -1.7654 -0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3594 -0.5545 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6136 -0.7967 -0.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2077 -1.5610 -2.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7303 -2.0075 -3.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7629 -2.7116 -3.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5022 -2.0065 -1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9782 0.6771 1.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2406 3.0715 2.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6556 1.7020 2.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6736 -1.0226 0.2836 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8367 -2.7044 -3.0068 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4823 -2.1736 -0.6377 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7463 -0.2199 -1.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0562 0.7748 -1.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3420 1.3171 -2.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3291 0.8770 -1.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0210 -0.0969 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7420 -0.6616 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0607 -0.6021 0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2297 -1.8184 0.7918 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8028 0.3094 1.4901 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9201 -0.1952 2.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3905 1.6769 1.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7293 -0.8050 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2222 -1.4221 1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9728 0.0334 0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2501 -1.8462 -3.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8249 -3.2214 -4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7116 0.8211 0.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4452 3.8011 1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9612 3.1427 1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7527 3.3418 3.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9290 1.5591 2.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7346 -3.1462 -3.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2946 1.1247 -2.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5734 2.0736 -2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3359 1.2807 -1.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5344 -1.4529 0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2850 -1.1487 1.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7360 0.5329 2.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5917 -0.3370 3.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1440 2.3585 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4124 1.9192 1.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3310 1.8071 2.8607 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 | |
| $$$$ | |