fragmenstein/demo/mac1_mols/mac-x0231.mol
mac-x0231
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
0.9300 10.6480 -3.1130 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2550 11.8300 -3.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2710 12.5440 -2.0900 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6400 12.3600 -4.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2650 13.8110 -4.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2490 14.8100 -4.4010 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8140 16.1370 -4.4530 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4430 16.5560 -4.6810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2060 17.6770 -4.7530 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6130 15.4680 -4.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9650 15.7460 -5.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8830 14.7110 -5.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4640 13.3870 -5.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1140 13.1310 -4.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1940 14.1790 -4.8020 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 1 0
5 6 2 0
6 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
5 15 1 0
10 15 2 0
14 15 1 0
M END