|
|
| RDKit 3D |
|
|
| 25 28 0 0 0 0 0 0 0 0999 V2000 |
| 7.2165 0.7795 0.9424 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1394 1.1318 1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3109 1.6877 2.8029 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7785 0.7863 1.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7843 0.1696 -0.0589 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5889 -0.1564 -0.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4123 0.1417 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0121 -0.0288 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2418 -0.5922 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1600 -0.6037 -1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7951 -0.0536 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0416 0.5080 1.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3518 0.5064 0.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3160 0.9803 1.8296 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5598 0.7691 1.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7060 1.1207 1.9053 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2418 -0.0593 0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0317 1.0687 0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3339 0.6969 0.3447 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4242 -0.6819 0.3707 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1676 -1.1318 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9024 -2.5885 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7759 2.5201 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9831 -1.1268 -2.0585 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3851 -1.6131 -3.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 2 0 |
| 2 4 1 0 |
| 4 5 2 0 |
| 5 6 1 0 |
| 6 7 2 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 |
| 15 16 2 0 |
| 11 17 1 0 |
| 17 18 2 0 |
| 18 19 1 0 |
| 19 20 1 0 |
| 20 21 2 0 |
| 21 22 1 0 |
| 18 23 1 0 |
| 10 24 1 0 |
| 24 25 1 0 |
| 16 4 1 0 |
| 15 7 1 0 |
| 13 8 1 0 |
| 21 17 1 0 |
| M END |
| $$$$ |
|
|
