|
|
| RDKit 3D |
|
|
| 31 33 0 0 0 0 0 0 0 0999 V2000 |
| 2.9723 4.2477 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0148 3.2392 0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3211 1.9639 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5833 1.6698 -0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5346 2.7042 -0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2355 3.9804 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9452 0.4208 -1.0154 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2668 -0.7764 -1.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0004 -1.7625 -1.7492 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3736 -2.9302 -1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0485 -3.1640 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3639 -2.1071 -1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9705 -0.9241 -0.9154 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0041 -2.2145 -0.8573 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5922 -1.0575 -0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0070 -1.3820 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2766 -2.6811 0.6202 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5441 -2.9374 1.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5123 -1.9507 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2627 -0.6602 0.7416 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9972 -0.3953 0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7460 0.9827 0.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7015 1.6476 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2073 1.8656 1.4051 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8557 3.1925 0.9403 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2363 1.0683 2.1257 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6606 2.0294 2.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4208 -4.4697 -2.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3383 -5.4621 -2.2082 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6075 -4.9390 -1.0168 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6668 -4.4442 -3.1392 F 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 1 0 |
| 8 9 2 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 2 0 |
| 12 14 1 0 |
| 14 15 1 0 |
| 15 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 1 0 |
| 22 24 1 0 |
| 24 25 2 0 |
| 24 26 2 0 |
| 24 27 1 0 |
| 11 28 1 0 |
| 28 29 1 0 |
| 28 30 1 0 |
| 28 31 1 0 |
| 6 1 1 0 |
| 13 8 1 0 |
| 21 16 1 0 |
| M END |
| $$$$ |
|
|
