|
|
| RDKit 3D |
|
|
| 20 21 0 0 0 0 0 0 0 0999 V2000 |
| 5.9129 0.8060 0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4389 1.5366 1.8173 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2691 -0.0326 0.0804 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8831 -0.2558 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4529 -1.1446 -1.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0916 -1.4164 -1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1391 -0.7960 -0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5663 0.0773 0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9311 0.3481 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3018 -1.1174 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5903 -2.2156 -1.0593 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1824 -0.1040 -0.2874 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5916 -0.1303 -0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2398 1.0919 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6324 1.1669 -0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3678 0.0204 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7405 -1.1942 -0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3464 -1.2708 -0.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7047 0.0929 -0.4340 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4666 2.2774 0.0966 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 1 3 1 0 |
| 3 4 1 0 |
| 4 5 2 0 |
| 5 6 1 0 |
| 6 7 2 0 |
| 7 8 1 0 |
| 8 9 2 0 |
| 7 10 1 0 |
| 10 11 2 0 |
| 10 12 1 0 |
| 12 13 1 0 |
| 13 14 2 0 |
| 14 15 1 0 |
| 15 16 2 0 |
| 16 17 1 0 |
| 17 18 2 0 |
| 16 19 1 0 |
| 14 20 1 0 |
| 9 4 1 0 |
| 18 13 1 0 |
| M END |
| $$$$ |
|
|
