|
|
| RDKit 3D |
|
|
| 22 21 0 0 0 0 0 0 0 0999 V2000 |
| -10.2369 1.4184 -1.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.9856 -0.0829 -1.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5066 -0.4617 -1.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9590 -0.0919 -0.0773 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5548 -0.5004 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9845 -0.1567 1.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6326 -0.6022 1.5669 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6836 0.2963 0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2753 -0.2364 1.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3264 0.6561 0.6587 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0263 0.2629 0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4945 -0.8144 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8509 -1.1984 0.1428 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7909 -0.3098 -0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2042 -0.8285 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1449 0.0672 -0.8025 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4962 -0.3750 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0821 -0.0308 0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4449 -0.4405 0.8209 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.3632 0.5102 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.7917 -0.0128 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 11.8141 0.8954 -0.0415 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 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 |
| 21 22 1 0 |
| M END |
| $$$$ |
|
|
