| 6a73_ligand |
| RDKit 3D |
|
|
| 42 42 0 0 0 0 0 0 0 0999 V2000 |
| -1.4384 0.1621 -0.8335 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.5909 1.6164 -0.4339 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.7714 1.2560 0.6019 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.5400 -0.1107 -0.0861 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.5724 -1.4786 0.4290 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -1.1050 -1.0183 0.3552 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -1.1656 -0.3347 -2.2261 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1416 -0.3302 -3.5945 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -1.7725 -1.5788 -4.4355 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -1.7969 0.8965 -4.4587 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6330 -0.3854 -3.2531 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4987 2.6612 0.1788 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1281 4.0780 -0.4709 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -2.5086 5.0063 0.7144 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -1.1194 4.7906 -1.3804 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4418 3.7807 -1.2093 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6402 2.4289 0.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0355 3.0431 2.4505 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| 0.7840 3.2503 3.3106 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 3.0165 2.1197 3.1866 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7375 4.4133 2.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0058 -0.2403 0.1855 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3048 -0.0546 -0.8739 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| 4.4082 1.3873 -1.3886 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 4.2036 -1.0224 -2.0593 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5997 -0.3860 -0.0762 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9360 -2.7988 -0.1912 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4543 -4.2184 0.5624 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| 1.9133 -3.9751 2.0056 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 0.3288 -5.2717 0.5084 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6111 -4.8200 -0.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1078 -2.1243 0.4748 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2993 -2.3264 1.6435 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -2.6791 -2.4057 3.0453 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -4.0412 -3.6570 1.3374 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3238 -1.1896 1.5684 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5113 0.3782 -0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1945 2.0532 -1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3594 0.9583 1.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4479 -0.0499 -1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7921 -1.6087 1.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2561 -0.4636 1.2900 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 6 |
| 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 |
|
|
| $$$$ |
|
|
