| 6a73_ligand |
| RDKit 3D |
|
|
| 42 42 0 0 0 0 0 0 0 0999 V2000 |
| -1.5053 0.3942 -0.6879 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.8687 1.4285 0.4732 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.8598 1.3475 0.6184 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.4987 -0.0882 -0.1433 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.4856 -1.3340 0.4001 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -1.0065 -1.2574 -0.4568 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.3400 0.9045 -2.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4248 1.7867 -3.0310 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -1.9782 1.6391 -4.5104 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -2.3323 3.2775 -2.6784 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8640 1.2806 -2.8802 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5039 1.2011 1.8311 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7687 1.9797 2.6085 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -2.4914 1.8761 4.1317 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -4.0787 1.2237 2.3343 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8909 3.4530 2.2178 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5617 2.6221 0.2048 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2326 3.8443 1.1469 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| 3.3436 4.5303 0.3063 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 1.1830 4.9333 1.4219 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8273 3.3060 2.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9656 -0.2935 0.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2291 -0.5033 -0.9847 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| 4.2493 0.6035 -2.0460 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 5.5527 -0.4439 -0.1677 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1623 -1.8792 -1.6627 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0657 -2.6981 0.5819 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1892 -3.5955 2.0034 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| 1.8649 -4.9516 1.6518 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 2.0678 -2.8764 3.0363 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2002 -3.8792 2.5903 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1323 -2.1150 -1.6884 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2329 -3.3424 -2.0374 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -2.4830 -3.3280 -3.5690 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -3.5543 -3.1640 -1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6113 -4.7187 -1.7362 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5900 0.3692 -0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1094 2.4577 0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0849 1.2416 1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3844 0.0287 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2243 -1.0370 1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7264 -1.6845 0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 1 6 1 0 |
| 1 7 1 0 |
| 2 3 1 0 |
| 2 12 1 0 |
| 3 4 1 0 |
| 3 17 1 0 |
| 4 5 1 0 |
| 4 22 1 0 |
| 5 6 1 0 |
| 5 27 1 0 |
| 6 32 1 0 |
| 7 8 1 0 |
| 8 9 1 0 |
| 8 10 2 0 |
| 8 11 2 0 |
| 12 13 1 0 |
| 13 14 1 0 |
| 13 15 2 0 |
| 13 16 2 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 18 20 2 0 |
| 18 21 2 0 |
| 22 23 1 0 |
| 23 24 1 0 |
| 23 25 2 0 |
| 23 26 2 0 |
| 27 28 1 0 |
| 28 29 1 0 |
| 28 30 2 0 |
| 28 31 2 0 |
| 32 33 1 0 |
| 33 34 1 0 |
| 33 35 2 0 |
| 33 36 2 0 |
| 1 37 1 1 |
| 2 38 1 6 |
| 3 39 1 1 |
| 4 40 1 6 |
| 5 41 1 1 |
| 6 42 1 1 |
| M CHG 8 8 1 9 -1 13 1 14 -1 18 1 19 -1 23 1 24 -1 |
| M CHG 4 28 1 29 -1 33 1 34 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
