|
|
| RDKit 3D |
|
|
| 23 22 0 0 0 0 0 0 0 0999 V2000 |
| -10.2910 -0.8606 1.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1446 -1.8139 1.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.0645 -1.1506 0.9046 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2292 -0.4195 1.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0876 0.2170 1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2351 0.9283 1.9118 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1654 1.6008 1.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9952 0.6661 0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9398 1.4121 0.3372 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8071 0.5892 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2979 1.4460 -0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4890 0.6982 -0.8065 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4345 -0.0493 -2.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7813 -0.7371 -2.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7568 0.1225 -2.8667 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2006 1.1751 -2.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4600 1.8222 -2.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5884 0.9433 -2.6611 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1081 0.5575 -1.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9189 -0.9450 -1.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3470 -1.3580 0.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3294 -1.2128 1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8910 -1.6661 2.4372 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 |
| 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 |
| 22 23 1 0 |
| M END |
| $$$$ |
|
|
