|
|
| RDKit 3D |
|
|
| 28 31 0 0 0 0 0 0 0 0999 V2000 |
| -7.0183 1.2863 1.1598 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5171 0.3885 0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1512 -0.3685 -0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3477 -1.2059 -1.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9723 -1.2810 -1.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3414 -0.5195 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1453 0.3436 0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9586 1.2764 1.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0973 1.8434 1.9570 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7821 1.5934 2.1337 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8995 -0.6172 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9908 -0.0695 -0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6089 -0.1572 -0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1062 -0.7952 0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0083 -1.3556 1.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3882 -1.2676 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2676 -0.9317 0.6596 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3360 -0.3587 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2387 0.4352 -0.9412 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5333 -0.8121 0.5136 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8424 -0.4149 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8992 -1.1232 0.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2272 -0.8077 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5202 0.2388 -0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4837 0.9598 -0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1462 0.6357 -0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7935 2.1121 -1.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6287 -2.1323 1.5911 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 2 0 |
| 3 4 1 0 |
| 4 5 2 0 |
| 5 6 1 0 |
| 6 7 2 0 |
| 7 8 1 0 |
| 8 9 2 0 |
| 8 10 1 0 |
| 6 11 1 0 |
| 11 12 2 0 |
| 12 13 1 0 |
| 13 14 2 0 |
| 14 15 1 0 |
| 15 16 2 0 |
| 14 17 1 0 |
| 17 18 1 0 |
| 18 19 2 0 |
| 18 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 |
| 25 27 1 0 |
| 22 28 1 0 |
| 9 1 1 0 |
| 7 2 1 0 |
| 16 11 1 0 |
| 26 21 1 0 |
| M END |
| $$$$ |
|
|
