|
|
| RDKit 3D |
|
|
| 29 32 0 0 0 0 0 0 0 0999 V2000 |
| -3.5145 4.1905 1.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6437 4.3758 2.8869 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2167 3.7574 1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1912 2.2381 0.8804 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.1373 1.7792 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9561 2.5161 -0.9018 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7454 1.6763 -1.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3951 0.4337 -1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3464 0.4344 -0.4459 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6310 -0.5947 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3529 -0.5009 0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0461 -1.6949 1.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0459 -2.6511 1.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3488 -2.1024 0.4093 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1014 -4.0181 1.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1890 -1.8900 2.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4498 0.6371 0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8195 1.8698 0.5271 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9650 0.3528 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2913 -0.7398 -0.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6228 -0.9722 -1.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6294 -0.1106 -0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3047 0.9899 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9750 1.2257 0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9900 -0.3508 -1.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1331 -0.5512 -1.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5262 -0.7949 -1.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8790 0.0076 -2.8793 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9886 -0.7527 -2.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 1 3 1 0 |
| 4 3 1 6 |
| 4 5 1 0 |
| 5 6 2 0 |
| 6 7 1 0 |
| 7 8 2 0 |
| 8 9 1 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 2 0 |
| 13 14 1 0 |
| 13 15 1 0 |
| 12 16 1 0 |
| 11 17 1 0 |
| 17 18 2 0 |
| 17 19 1 0 |
| 19 20 2 0 |
| 20 21 1 0 |
| 21 22 2 0 |
| 22 23 1 0 |
| 23 24 2 0 |
| 22 25 1 0 |
| 25 26 3 0 |
| 26 27 1 0 |
| 27 28 1 0 |
| 8 29 1 0 |
| 18 4 1 0 |
| 9 5 1 0 |
| 14 10 1 0 |
| 24 19 1 0 |
| M END |
| $$$$ |
|
|
