|
|
| RDKit 3D |
|
|
| 20 20 0 0 0 0 0 0 0 0999 V2000 |
| 7.8481 -1.8483 -0.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5913 -1.2196 -0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4643 -1.8113 -0.9729 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2193 -1.2984 -0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8292 -0.0009 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5678 0.4452 -0.7058 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1375 1.6448 -1.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7527 2.0252 -0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2234 1.1476 -1.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5066 1.2639 -0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6065 0.3462 0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9343 0.3403 0.9767 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8680 -0.6492 0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9407 -0.1325 1.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2693 -0.7254 1.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2921 0.1483 1.3741 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5836 -0.2788 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9770 -1.4173 1.4526 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6200 1.1296 2.0563 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3864 1.4066 1.6579 N 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 1 0 |
| 12 13 1 0 |
| 13 14 2 0 |
| 14 15 1 0 |
| 15 16 1 0 |
| 16 17 1 0 |
| 17 18 2 0 |
| 14 19 1 0 |
| 19 20 2 0 |
| 20 12 1 0 |
| M END |
| $$$$ |
|
|
