| 6a73_ligand |
| RDKit 3D |
|
|
| 42 42 0 0 0 0 0 0 0 0999 V2000 |
| -1.6390 0.1330 0.0685 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.6271 1.4581 -0.3865 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.8349 1.2505 0.5603 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.6166 -0.2010 -0.0388 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.5609 -1.4889 0.4181 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -0.9343 -1.3500 -0.4307 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -3.1036 0.2568 -0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3789 0.0674 0.8724 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -5.6860 0.5047 0.1551 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -4.5302 -1.4069 1.2678 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1776 0.9369 2.1202 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2639 2.8092 -0.2817 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5348 3.9473 -1.4967 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -2.5730 3.4453 -2.5092 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -0.2333 4.3159 -2.2212 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1143 5.2223 -0.8192 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7013 2.4553 0.7211 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0816 3.2690 2.1527 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| 0.8240 3.8417 2.8191 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 2.8080 2.3478 3.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0276 4.4472 1.7833 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0455 -0.3692 0.3746 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4206 -0.4671 -0.5974 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| 4.4373 -1.7706 -1.4074 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 4.5278 0.7392 -1.5398 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6585 -0.4831 0.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1323 -2.8715 0.4444 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1353 -3.9610 1.7300 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| 1.8930 -3.3913 2.9368 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -0.2977 -4.3256 2.1336 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8566 -5.2530 1.2538 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7903 -1.5101 -1.9166 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5051 -2.6177 -2.9651 P 0 0 0 0 0 6 0 0 0 0 0 0 |
| -2.8177 -2.0495 -3.5297 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| -1.7422 -3.9805 -2.3089 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5415 -2.7868 -4.1694 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5975 0.1193 1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3594 1.3315 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5077 1.0225 1.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6246 -0.1438 -1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3205 -1.2956 1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5870 -2.1638 -0.0973 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 |
|
|
| $$$$ |
|
|
