| 6e3n_ligand |
| RDKit 3D |
|
|
| 28 29 0 0 0 0 0 0 0 0999 V2000 |
| 2.2718 2.3375 -2.4129 O 0 0 0 0 0 1 0 0 0 0 0 0 |
| 2.9257 1.6335 -1.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1739 1.6817 -1.3355 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1859 0.5533 -0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9101 0.6873 -0.5814 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0398 -0.6159 -0.3841 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 4.0411 -0.2067 0.5418 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2121 -1.7382 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6651 -2.8506 0.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7903 -1.4763 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2569 -0.3087 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1830 -0.0924 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6070 -0.0471 1.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9496 0.1537 2.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8876 0.3216 1.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4839 0.2918 -0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1371 0.0794 -0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7443 0.0923 -2.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5346 -1.0180 -1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4992 0.5352 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2366 -2.2583 0.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8803 -0.1499 2.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2560 0.1931 3.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9317 0.4913 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2258 0.4456 -1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2572 1.0391 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6216 -0.0184 -2.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0747 -0.7415 -2.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 2 0 |
| 2 4 1 0 |
| 4 5 2 0 |
| 4 6 1 0 |
| 5 11 1 0 |
| 6 7 1 0 |
| 6 8 1 0 |
| 8 9 2 0 |
| 8 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 2 0 |
| 12 17 1 0 |
| 13 14 1 0 |
| 14 15 2 0 |
| 15 16 1 0 |
| 16 17 2 0 |
| 17 18 1 0 |
| 6 19 1 6 |
| 7 20 1 0 |
| 10 21 1 0 |
| 13 22 1 0 |
| 14 23 1 0 |
| 15 24 1 0 |
| 16 25 1 0 |
| 18 26 1 0 |
| 18 27 1 0 |
| 18 28 1 0 |
| M CHG 1 1 -1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
