| 6a73_ligand | |
| RDKit 3D | |
| 42 42 0 0 0 0 0 0 0 0999 V2000 | |
| -1.5377 0.2115 -0.5159 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.7436 1.5320 0.1812 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.9742 1.4254 0.2311 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 1.6229 -0.1179 0.5441 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.7966 -1.4183 -0.1721 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -0.8801 -1.2528 0.0459 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.7009 0.3017 -2.0098 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0408 0.7697 -2.9165 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| -3.1505 2.3013 -2.9553 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -4.3391 0.1373 -2.4011 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8046 0.2904 -4.3748 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2828 1.8308 1.5744 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2377 3.0934 2.1349 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| -1.9489 3.2389 3.6529 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -1.9232 4.4196 1.4386 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7253 2.7307 1.9987 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6021 2.0970 -0.9772 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6668 3.3944 -1.0725 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 4.1194 2.8979 -0.9858 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 2.4896 4.0284 -2.4785 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3831 4.4587 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7451 -0.3634 2.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0949 -0.5349 3.0263 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 3.7158 0.8335 3.3400 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 2.5983 -1.1366 4.3682 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1283 -1.4883 2.4207 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2296 -1.7543 -1.5729 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2432 -2.9874 -2.1142 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 1.8236 -3.3357 -3.5678 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 3.6936 -2.4784 -2.1842 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1462 -4.2492 -1.2501 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6781 -2.4789 -0.3315 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5416 -3.5421 0.6392 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| -3.1591 -4.6233 -0.2933 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -3.6865 -2.8234 1.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6214 -4.2440 1.6457 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5644 0.2257 -0.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9846 2.4107 -0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2766 2.0473 1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6455 -0.1258 0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0641 -2.3078 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9968 -1.1881 1.1362 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 | |
| $$$$ | |