|
|
| RDKit 3D |
|
|
| 28 31 0 0 0 0 0 0 0 0999 V2000 |
| 8.7544 0.4969 0.6963 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0864 -0.8315 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9981 -0.2148 1.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0783 0.8453 1.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8717 0.3376 0.9295 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8701 -0.4980 0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9959 -1.8322 0.4851 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0400 -2.5838 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9721 -2.1308 -0.7389 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8963 -0.7827 -0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8196 0.0841 -0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7147 -0.2299 -1.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5156 0.9779 -1.6376 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8790 -1.1795 -2.1084 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4152 -0.8356 -2.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4768 -0.6501 -1.5724 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -2.7926 -0.1057 -2.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8950 -0.1125 -1.1766 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1824 0.1399 -1.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3533 -0.0595 -0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1547 0.6757 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2371 0.8829 1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0496 1.5346 2.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7807 1.9778 2.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6958 1.7659 2.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8688 1.1024 0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6848 0.9183 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7416 -1.9192 -0.9509 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 3 4 1 0 |
| 3 5 1 0 |
| 5 6 1 0 |
| 6 7 2 0 |
| 7 8 1 0 |
| 8 9 2 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 10 12 1 0 |
| 12 13 2 0 |
| 12 14 1 0 |
| 14 15 1 0 |
| 15 16 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 21 22 2 0 |
| 22 23 1 0 |
| 23 24 2 0 |
| 24 25 1 0 |
| 25 26 2 0 |
| 26 27 1 0 |
| 16 28 1 6 |
| 4 1 1 0 |
| 11 6 1 0 |
| 27 18 1 0 |
| 26 21 1 0 |
| M END |
| $$$$ |
|
|
