|
|
| RDKit 3D |
|
|
| 32 35 0 0 0 0 0 0 0 0999 V2000 |
| -5.2510 -3.2374 -1.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9034 -2.0380 -2.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7799 -1.3277 -1.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0066 -1.8140 -0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3494 -3.0292 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4735 -3.7352 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7909 -1.0853 -0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7753 -1.7858 0.1243 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4586 -1.1460 0.5842 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.1037 -0.4122 -0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2972 -0.6118 -1.0705 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5474 0.4000 -1.9459 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4901 1.1886 -1.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5121 0.7016 -1.1264 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7663 1.1574 -0.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8010 0.3884 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8832 1.2512 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6493 2.5798 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1413 2.7963 -0.9139 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5217 3.7674 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1065 0.7840 0.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3638 2.3534 -2.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3629 -2.2465 1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5300 -1.6314 1.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4144 -1.1607 3.0118 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7056 -1.6039 1.1677 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8728 -0.8903 1.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7429 0.6081 1.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2501 1.4142 1.9544 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3138 1.0673 1.0388 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4088 1.3467 3.3873 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8330 2.9268 1.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 2 3 1 0 |
| 3 4 2 0 |
| 4 5 1 0 |
| 5 6 2 0 |
| 4 7 1 0 |
| 7 8 2 0 |
| 8 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 1 0 |
| 15 16 2 0 |
| 16 17 1 0 |
| 17 18 2 0 |
| 18 19 1 0 |
| 18 20 1 0 |
| 17 21 1 0 |
| 13 22 1 0 |
| 9 23 1 6 |
| 23 24 1 0 |
| 24 25 2 0 |
| 24 26 1 0 |
| 26 27 1 0 |
| 27 28 1 0 |
| 28 29 1 0 |
| 29 30 2 0 |
| 29 31 2 0 |
| 29 32 1 0 |
| 6 1 1 0 |
| 16 7 1 0 |
| 14 10 1 0 |
| 19 15 1 0 |
| M END |
| $$$$ |
|
|
