|
|
| RDKit 3D |
|
|
| 33 38 0 0 0 0 0 0 0 0999 V2000 |
| 1.0341 -3.6640 -2.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2958 -3.6874 -2.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8829 -2.7047 -1.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2713 -1.7497 -0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3257 -0.9068 -0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3826 0.2383 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6224 0.8290 0.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8210 0.2853 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7832 -0.8451 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5343 -1.4089 -0.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2301 -2.4983 -1.7229 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1104 0.8622 0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6311 0.9738 1.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8615 1.5503 1.7144 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1758 1.8175 0.3954 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1228 1.4047 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1248 1.5543 -1.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1630 0.6198 3.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6133 1.9276 1.4913 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5062 3.1259 0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1380 -1.8289 -0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7612 -2.8109 -1.5486 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8710 -0.9480 -0.0235 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2212 -0.8610 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2672 -1.4737 -0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4320 -0.9339 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1751 -0.0486 0.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8264 -0.0198 1.0124 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1895 0.8464 1.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7896 2.1849 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8699 -1.3285 -0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3316 -1.0369 -1.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8847 -0.2441 -0.6729 C 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 |
| 6 7 1 0 |
| 7 8 2 0 |
| 8 9 1 0 |
| 9 10 2 0 |
| 10 11 1 0 |
| 8 12 1 0 |
| 12 13 2 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 15 16 2 0 |
| 16 17 1 0 |
| 13 18 1 0 |
| 7 19 1 0 |
| 19 20 1 0 |
| 4 21 1 0 |
| 21 22 2 0 |
| 21 23 1 0 |
| 23 24 1 0 |
| 24 25 2 0 |
| 25 26 1 0 |
| 26 27 2 0 |
| 27 28 1 0 |
| 28 29 1 0 |
| 29 30 1 0 |
| 26 31 1 0 |
| 31 32 1 0 |
| 32 33 1 0 |
| 22 1 1 0 |
| 11 3 1 0 |
| 10 5 1 0 |
| 16 12 1 0 |
| 28 24 1 0 |
| 33 31 1 0 |
| M END |
| $$$$ |
|
|
