|
|
| RDKit 3D |
|
|
| 32 34 0 0 0 0 0 0 0 0999 V2000 |
| 5.6299 -1.7484 3.2899 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2233 -1.2518 2.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4287 -1.0389 2.1312 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3589 -1.0247 0.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9776 -0.8447 1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2069 -0.6316 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7883 -0.5972 -1.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1812 -0.7555 -1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9604 -0.9661 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0737 -0.3610 -2.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7459 -0.0574 -2.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4336 -0.0492 -4.1094 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1614 0.2441 -4.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8101 0.5537 -3.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4088 0.5423 -2.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8556 0.2265 -1.8462 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3391 0.8064 -1.1704 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7989 0.7934 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9238 1.0932 1.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8771 0.1078 1.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9299 0.3968 2.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0377 1.6522 2.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0959 2.6359 2.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0492 2.3612 1.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1197 -0.8690 2.6905 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8644 -0.4454 3.8614 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4187 -2.1388 2.6754 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2166 -0.8190 1.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2017 0.8409 -3.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3012 1.1329 -5.2633 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0553 -0.1986 -3.7263 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7491 1.9149 -3.2928 F 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 |
| 7 10 1 0 |
| 10 11 1 0 |
| 11 12 2 0 |
| 12 13 1 0 |
| 13 14 2 0 |
| 14 15 1 0 |
| 15 16 2 0 |
| 15 17 1 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 19 20 2 0 |
| 20 21 1 0 |
| 21 22 2 0 |
| 22 23 1 0 |
| 23 24 2 0 |
| 21 25 1 0 |
| 25 26 2 0 |
| 25 27 2 0 |
| 25 28 1 0 |
| 14 29 1 0 |
| 29 30 1 0 |
| 29 31 1 0 |
| 29 32 1 0 |
| 9 4 1 0 |
| 16 11 1 0 |
| 24 19 1 0 |
| M END |
| $$$$ |
|
|
