|
|
| RDKit 3D |
|
|
| 33 36 0 0 0 0 0 0 0 0999 V2000 |
| -7.5871 2.2236 -1.5359 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0091 1.7174 -0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6737 1.0573 0.3808 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5291 2.0535 -0.2268 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -4.9965 1.5870 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7477 0.0770 1.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8799 -0.4429 0.0583 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -4.4684 -0.0051 -1.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6702 1.5091 -1.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4964 0.0034 0.2156 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4628 -0.5875 -0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6235 -1.4709 -1.3244 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0941 -0.1169 -0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1181 1.2303 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3206 1.7635 0.4048 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3859 0.9191 0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2557 -0.4453 0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0105 -0.9889 -0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8300 -2.3684 -0.3622 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9094 -3.2337 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2368 -2.9263 -2.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4486 -4.6861 -0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6498 1.5053 0.8077 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9092 0.9126 0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2179 -0.3877 0.6885 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5250 -0.6904 0.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5195 0.2014 1.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1730 1.5344 1.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8255 1.9026 1.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1165 3.1189 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8013 2.8548 1.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.8679 -0.2432 1.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.9627 -0.6080 1.5047 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 2 0 |
| 4 2 1 6 |
| 4 5 1 0 |
| 5 6 1 0 |
| 6 7 1 0 |
| 7 8 1 0 |
| 8 9 1 0 |
| 7 10 1 1 |
| 10 11 1 0 |
| 11 12 2 0 |
| 11 13 1 0 |
| 13 14 2 0 |
| 14 15 1 0 |
| 15 16 2 0 |
| 16 17 1 0 |
| 17 18 2 0 |
| 18 19 1 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 20 22 1 0 |
| 16 23 1 0 |
| 23 24 1 0 |
| 24 25 2 0 |
| 25 26 1 0 |
| 26 27 2 0 |
| 27 28 1 0 |
| 28 29 2 0 |
| 29 30 1 0 |
| 30 31 2 0 |
| 27 32 1 0 |
| 32 33 3 0 |
| 9 4 1 0 |
| 18 13 1 0 |
| 31 23 1 0 |
| 29 24 1 0 |
| M END |
| $$$$ |
|
|
