|
|
| RDKit 3D |
|
|
| 29 32 0 0 0 0 0 0 0 0999 V2000 |
| 6.2053 3.2786 0.3518 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2424 2.0230 0.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0690 1.4749 1.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8550 0.1394 2.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8516 -0.6058 1.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0167 -0.0445 0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2313 1.3108 0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6812 2.2562 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2754 3.4436 -0.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6877 2.0156 -1.5407 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9564 -0.8362 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6018 -0.5314 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5743 -1.2760 -0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9121 -2.3446 -1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2523 -2.6686 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2666 -1.9212 -0.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2502 -0.8671 -0.1251 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9242 -1.5174 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9834 -2.6225 -1.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0188 -0.7277 -0.1538 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3849 -1.0664 -0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8503 -2.3490 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2220 -2.6027 -0.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1408 -1.5774 -0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7011 -0.2814 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3168 -0.0419 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7159 0.8227 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6112 1.3856 1.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5894 1.9384 -0.8926 C 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 |
| 13 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 |
| 27 28 1 0 |
| 27 29 1 0 |
| 9 1 1 0 |
| 7 2 1 0 |
| 16 11 1 0 |
| 26 21 1 0 |
| M END |
| $$$$ |
|
|
