fragmenstein/demo/mac1_mols/mac-x0224.mol
mac-x0224
RDKit 3D
12 12 0 0 0 0 0 0 0 0999 V2000
-5.0990 15.1060 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3020 15.0940 1.1750 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.9840 15.0350 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9020 15.2010 -1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4980 15.0760 -2.8720 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1550 14.7550 -3.1150 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6400 14.5970 -4.3840 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2870 14.6040 -2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7100 14.6860 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1530 14.2450 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9690 14.0470 -1.4890 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5130 14.2340 -3.4950 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
6 8 1 0
3 9 1 0
8 9 2 0
8 10 1 0
10 11 2 0
10 12 1 0
M END