|
|
| RDKit 3D |
|
|
| 21 23 0 0 0 0 0 0 0 0999 V2000 |
| 4.0317 -2.2798 0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8325 -3.0866 -0.4645 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2873 -1.0134 0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5178 -0.1506 1.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8255 1.0514 1.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8899 1.3898 0.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6352 0.5240 -0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3540 -0.6779 -0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6313 0.8962 -1.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7485 1.2183 -0.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0485 2.4772 -0.7584 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2663 2.7998 -0.2486 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2369 1.9159 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3122 2.2851 0.6114 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9152 0.4879 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8481 -0.4849 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5395 -1.8357 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3051 -2.2107 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3747 -1.2379 -0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6781 0.1205 -0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4098 -0.4618 2.5263 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 1 3 1 0 |
| 3 4 2 0 |
| 4 5 1 0 |
| 5 6 2 0 |
| 6 7 1 0 |
| 7 8 2 0 |
| 7 9 1 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 1 0 |
| 13 14 2 0 |
| 13 15 1 0 |
| 15 16 2 0 |
| 16 17 1 0 |
| 17 18 2 0 |
| 18 19 1 0 |
| 19 20 2 0 |
| 4 21 1 0 |
| 8 3 1 0 |
| 20 10 1 0 |
| 20 15 1 0 |
| M END |
| $$$$ |
|
|
