|
|
| RDKit 3D |
|
|
| 34 36 0 0 0 0 0 0 0 0999 V2000 |
| 8.7520 1.3488 -1.6605 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7285 1.0117 -2.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9106 0.9479 -3.7123 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3908 0.7731 -1.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2280 0.4290 -0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9445 0.2165 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8024 0.3333 -0.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9861 0.6661 -2.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2627 0.8795 -2.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4996 0.1393 -0.3624 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9496 -0.1840 0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6994 -0.3744 1.9629 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0537 -0.6777 3.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6878 -0.8153 3.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0178 -0.6150 2.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6113 -0.2868 0.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4151 -0.6708 2.0364 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0577 -0.5267 0.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5306 -0.8574 0.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8741 -1.8740 1.6931 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1913 -2.1600 1.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1400 -1.4803 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8209 -0.4852 0.1707 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5032 -0.1795 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1943 0.8300 -0.8642 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0048 2.0580 -0.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8342 0.2430 -2.4064 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9814 -0.9201 -2.2692 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4041 1.3684 -3.2116 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.4131 -0.2959 -3.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0470 -1.1190 4.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9280 -1.6099 5.4245 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5179 -0.0299 5.0925 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9363 -2.0605 4.4189 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 |
| 24 25 1 0 |
| 25 26 1 0 |
| 25 27 1 0 |
| 27 28 2 0 |
| 27 29 2 0 |
| 27 30 1 0 |
| 14 31 1 0 |
| 31 32 1 0 |
| 31 33 1 0 |
| 31 34 1 0 |
| 9 4 1 0 |
| 16 11 1 0 |
| 24 19 1 0 |
| M END |
| $$$$ |
|
|
