|
|
| RDKit 3D |
|
|
| 25 27 0 0 0 0 0 0 0 0999 V2000 |
| -6.7372 1.2837 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2635 1.3294 -1.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9457 0.9636 -1.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0937 0.5608 -0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5785 0.4990 0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8986 0.8649 0.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6968 0.1797 -0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4358 -0.2827 -2.0719 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7434 0.4082 0.0075 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.3167 0.1127 -0.2238 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 0.6046 0.5058 0.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4052 -0.8002 0.7033 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 0.1214 -1.3722 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3784 -2.1314 -1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7438 -2.2126 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5783 -0.6772 -0.1357 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7275 -0.1310 0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9105 0.2720 1.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1370 0.8180 2.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1858 0.9612 1.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9951 0.5514 -0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7713 0.0082 -0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4526 1.5159 1.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4883 1.9618 1.8357 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2941 1.3008 3.7530 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 |
| 13 14 1 0 |
| 13 15 1 0 |
| 12 16 1 6 |
| 16 17 1 0 |
| 17 18 2 0 |
| 18 19 1 0 |
| 19 20 2 0 |
| 20 21 1 0 |
| 21 22 2 0 |
| 20 23 1 0 |
| 23 24 3 0 |
| 19 25 1 0 |
| 6 1 1 0 |
| 13 10 1 0 |
| 22 17 1 0 |
| M END |
| $$$$ |
|
|
