|
|
| RDKit 3D |
|
|
| 23 25 0 0 0 0 0 0 0 0999 V2000 |
| 6.6864 -0.3312 1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1804 0.9667 1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8270 1.1998 0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9763 0.1347 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4852 -1.1702 0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8405 -1.3988 0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5407 0.4310 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0052 1.4007 0.8659 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8841 -0.4188 -0.5306 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4845 -0.1813 -0.9252 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -0.1760 -1.3695 -1.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4662 -1.0736 -0.8489 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -0.5551 -0.3852 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4236 -0.2395 -1.5402 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5640 0.1599 -0.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9472 -0.2454 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1415 0.2313 0.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9576 1.1139 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5664 1.5156 -1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3758 1.0383 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1864 1.6195 0.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1879 2.0443 1.1694 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5585 -0.3138 2.5319 Cl 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 2 0 |
| 7 9 1 0 |
| 10 9 1 1 |
| 10 11 1 0 |
| 11 12 1 0 |
| 12 13 1 0 |
| 12 14 1 6 |
| 14 15 1 0 |
| 15 16 2 0 |
| 16 17 1 0 |
| 17 18 2 0 |
| 18 19 1 0 |
| 19 20 2 0 |
| 18 21 1 0 |
| 21 22 3 0 |
| 17 23 1 0 |
| 6 1 1 0 |
| 13 10 1 0 |
| 20 15 1 0 |
| M END |
| $$$$ |
|
|
