|
|
| RDKit 3D |
|
|
| 28 31 0 0 0 0 0 0 0 0999 V2000 |
| 8.4197 0.2556 0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1782 -0.6645 0.8108 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9565 0.0748 0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1444 1.1614 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7550 0.9950 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1562 -0.2464 0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9987 -1.3249 0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3871 -1.1717 0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7774 -0.4707 0.2734 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6656 0.3274 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7949 1.6416 -0.2595 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6928 2.3816 -0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5575 1.7810 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8947 2.1819 -0.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7179 1.0739 -0.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8881 0.0042 -0.2222 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5773 0.4298 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4974 -0.3348 0.0498 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3291 -1.3582 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7940 -1.9833 1.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0485 -3.2450 0.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7337 -3.6629 -0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9657 -2.3409 -1.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1547 0.9885 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6458 0.0796 -1.4037 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9505 1.9845 -0.1689 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3566 2.0356 -0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5419 2.8416 0.9346 C 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 |
| 6 9 1 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 2 0 |
| 13 14 1 0 |
| 14 15 2 0 |
| 15 16 1 0 |
| 16 17 1 0 |
| 17 18 2 0 |
| 16 19 1 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 21 22 1 0 |
| 22 23 1 0 |
| 15 24 1 0 |
| 24 25 2 0 |
| 24 26 1 0 |
| 26 27 1 0 |
| 26 28 1 0 |
| 8 3 1 0 |
| 18 10 1 0 |
| 17 13 1 0 |
| 23 19 1 0 |
| M END |
| $$$$ |
|
|
