|
|
| RDKit 3D |
|
|
| 28 32 0 0 0 0 0 0 0 0999 V2000 |
| 6.7731 2.2169 0.6277 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5404 1.6730 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0939 1.8842 -1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1267 1.2982 -0.2746 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3171 1.8179 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7849 1.6320 1.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7764 1.2129 -0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9046 0.3790 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5543 0.2649 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0892 0.9743 -1.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9019 1.7996 -2.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2492 1.8959 -1.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2368 0.6441 -1.4692 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5434 -0.2327 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4544 -0.4785 0.2681 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8808 -0.7395 -0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2171 -1.4933 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5878 -2.0748 0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5282 -1.7667 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8369 -2.2642 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2301 -3.0988 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3122 -3.4373 1.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0111 -2.9325 1.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1640 -3.3254 2.8515 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1601 -0.9549 -1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9087 -0.4373 -1.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6587 0.2623 -2.3515 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3617 -1.7510 1.8311 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 5 6 1 0 |
| 4 7 1 0 |
| 7 8 2 0 |
| 8 9 1 0 |
| 9 10 2 0 |
| 10 11 1 0 |
| 11 12 2 0 |
| 10 13 1 0 |
| 13 14 1 0 |
| 14 15 2 0 |
| 14 16 1 0 |
| 16 17 2 0 |
| 17 18 1 0 |
| 18 19 2 0 |
| 19 20 1 0 |
| 20 21 2 0 |
| 21 22 1 0 |
| 22 23 2 0 |
| 23 24 1 0 |
| 19 25 1 0 |
| 25 26 1 0 |
| 26 27 2 0 |
| 17 28 1 0 |
| 6 1 1 0 |
| 12 7 1 0 |
| 15 9 1 0 |
| 26 16 1 0 |
| 23 18 1 0 |
| M END |
| $$$$ |
|
|
