|
|
| RDKit 3D |
|
|
| 27 29 0 0 0 0 0 0 0 0999 V2000 |
| 6.9055 0.0561 -0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6590 0.9958 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3543 1.2156 0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2923 0.4868 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5417 -0.4439 -1.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8491 -0.6595 -1.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9174 0.7529 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6251 1.8570 0.8751 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0353 -0.3121 0.3917 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6574 -0.1980 0.9212 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -0.3834 0.4919 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3652 -0.7061 0.2415 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -0.1866 -1.5090 0.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4657 -2.0254 2.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2947 -2.6665 0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4952 -0.4678 1.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6737 0.0163 0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9121 0.3323 -0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1633 0.8201 -1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1826 0.9985 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9423 0.6825 1.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6902 0.1933 1.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4581 1.4980 -0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5048 1.8991 -0.8822 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3683 1.1164 -2.3959 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8237 1.8498 0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0072 0.6350 -1.4960 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 |
| 4 7 1 0 |
| 7 8 2 0 |
| 7 9 1 0 |
| 10 9 1 6 |
| 10 11 1 0 |
| 11 12 1 0 |
| 12 13 1 0 |
| 13 14 1 0 |
| 13 15 1 0 |
| 12 16 1 1 |
| 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 |
| 11 26 1 0 |
| 11 27 1 0 |
| 6 1 1 0 |
| 13 10 1 0 |
| 22 17 1 0 |
| M END |
| $$$$ |
|
|
