|
|
| RDKit 3D |
|
|
| 36 39 0 0 0 0 0 0 0 0999 V2000 |
| -8.8799 -0.3017 0.2644 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2433 0.9811 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7244 1.0327 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0286 -0.1095 -0.4501 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6450 -1.4136 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1605 -1.3881 -0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6266 -0.0148 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9848 1.0561 -1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5907 1.2019 -1.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7905 0.2696 -0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4171 -0.8180 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8110 -0.9557 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3815 0.4160 -0.3812 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5815 0.0136 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2262 -0.5400 1.7435 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2031 -0.9185 2.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5595 -0.7874 2.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9246 -0.2299 1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9241 0.1702 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2869 -0.0796 0.7707 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9540 -0.8859 -0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5769 -2.2243 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2700 -3.0434 -1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3646 -2.5463 -2.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7800 -1.2314 -1.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0966 -0.4073 -0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5432 1.0004 -0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7149 1.8724 -0.4453 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9018 1.2312 -0.7684 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4407 2.5310 -0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5553 -1.2509 3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9732 -1.6460 4.5368 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4584 -0.2968 3.7245 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2788 -2.3296 2.9508 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8956 2.2230 -1.6433 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6520 3.1367 -2.4277 C 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 |
| 15 16 1 0 |
| 16 17 2 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 |
| 26 27 1 0 |
| 27 28 2 0 |
| 27 29 1 0 |
| 29 30 1 0 |
| 17 31 1 0 |
| 31 32 1 0 |
| 31 33 1 0 |
| 31 34 1 0 |
| 9 35 1 0 |
| 35 36 1 0 |
| 6 1 1 0 |
| 12 7 1 0 |
| 19 14 1 0 |
| 26 21 1 0 |
| M END |
| $$$$ |
|
|
