|
|
| RDKit 3D |
|
|
| 21 20 0 0 0 0 0 0 0 0999 V2000 |
| -0.6731 0.1853 -4.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6861 -0.4100 -3.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5608 0.4093 -2.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5569 -0.1827 -1.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3637 0.6863 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2996 0.1788 1.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1635 -1.0633 1.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0084 -1.6062 3.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1324 -2.8622 3.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7142 -2.7313 2.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1550 -1.7549 3.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0909 -1.3709 4.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2589 -1.3596 2.6751 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2785 -0.4743 3.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8291 0.4316 2.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3690 -0.3937 1.0673 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9827 0.3586 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9553 1.0457 -0.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6113 2.3208 -0.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4289 2.8869 -0.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6103 3.2963 -2.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 5 6 1 0 |
| 6 7 1 0 |
| 7 8 1 0 |
| 8 9 1 0 |
| 9 10 1 0 |
| 10 11 1 0 |
| 11 12 2 0 |
| 11 13 1 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 15 16 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| M END |
| $$$$ |
|
|
