fragmenstein/demo/mac1_mols/diamond-x0722_A.mol
RDKit 3D
12 12 0 0 0 0 0 0 0 0999 V2000
-2.5010 14.8780 2.0250 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8120 15.5740 2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1010 15.2400 -0.9550 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6770 15.1570 1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6750 14.6600 0.9710 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2660 14.3920 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9500 13.5130 -0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3180 14.7670 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7150 14.5140 -1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6310 15.0990 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7300 15.4370 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0300 14.7130 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0
1 5 1 0
4 2 1 0
4 10 1 0
5 6 1 0
5 8 1 0
3 12 2 0
12 7 1 0
12 11 1 0
10 8 2 0
10 11 1 0
8 9 1 0
M END