|
|
| RDKit 3D |
|
|
| 29 32 0 0 0 0 0 0 0 0999 V2000 |
| 6.0301 -1.1633 0.9474 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7718 -1.8132 -0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8140 -1.0007 -1.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5231 -0.7271 -0.5788 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7822 -0.0551 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7487 -0.8651 1.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6714 0.0979 -1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2244 0.1769 -1.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7224 1.3220 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6186 1.3623 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4737 0.2788 -0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9838 -0.8555 -0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3562 -0.9078 -1.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8040 -2.0109 -1.9079 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9942 -3.1087 -1.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8888 0.3424 0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1678 -0.0568 1.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4445 -0.0539 2.0093 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5615 0.3680 1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.7068 0.3880 1.7265 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3079 0.8133 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0133 0.8021 -0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8282 1.2331 -1.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9336 1.6518 -2.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1914 1.6714 -2.1773 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3531 1.2495 -0.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6191 -0.5106 3.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6149 2.3452 -0.1571 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1515 3.5154 0.5040 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 |
| 4 7 1 0 |
| 7 8 1 0 |
| 8 9 2 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 2 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 11 16 1 0 |
| 16 17 2 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 19 20 2 0 |
| 19 21 1 0 |
| 21 22 2 0 |
| 22 23 1 0 |
| 23 24 2 0 |
| 24 25 1 0 |
| 25 26 2 0 |
| 18 27 1 0 |
| 9 28 1 0 |
| 28 29 1 0 |
| 6 1 1 0 |
| 13 8 1 0 |
| 22 16 1 0 |
| 26 21 1 0 |
| M END |
| $$$$ |
|
|
