|
|
| RDKit 3D |
|
|
| 27 30 0 0 0 0 0 0 0 0999 V2000 |
| 4.7056 2.7442 1.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2910 2.4692 2.8146 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6729 1.9667 0.6369 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6070 2.1362 -0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5064 1.0708 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0589 -0.3023 -0.1402 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1404 -0.4289 0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2472 0.6263 0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0647 -1.3868 -0.0254 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.0894 -1.2757 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1268 -2.4654 1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6415 -2.6668 -0.1031 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.3161 -2.7234 -1.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2935 -1.5453 -1.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6060 -1.5923 -0.3073 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8194 -1.5249 0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2409 -2.5468 1.0267 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4238 -2.4630 1.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2087 -1.4371 1.7888 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7858 -0.3840 1.0756 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6508 -0.3495 0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6019 0.8790 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7272 1.6219 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4306 0.8161 0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5925 1.3713 -1.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4592 2.1398 -0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2212 2.2317 -2.4564 C 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 1 0 |
| 5 6 1 0 |
| 6 7 1 0 |
| 7 8 1 0 |
| 9 6 1 6 |
| 9 10 1 0 |
| 10 11 1 0 |
| 11 12 1 0 |
| 12 13 1 0 |
| 13 14 1 0 |
| 12 15 1 6 |
| 15 16 1 0 |
| 16 17 2 0 |
| 17 18 1 0 |
| 18 19 2 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 21 22 2 0 |
| 22 23 1 0 |
| 23 24 2 0 |
| 22 25 1 0 |
| 25 26 1 0 |
| 25 27 1 0 |
| 8 3 1 0 |
| 14 9 1 0 |
| 21 16 1 0 |
| 24 20 1 0 |
| M END |
| $$$$ |
|
|
