fragmenstein/demo/mac1_mols/diamond-x1012_A.mol
RDKit 3D
12 12 0 0 0 0 0 0 0 0999 V2000
-0.6600 18.2180 -4.5700 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4730 17.1590 -4.6320 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7010 17.2730 -4.7280 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8070 14.6740 -4.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9500 15.8730 -4.6150 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2500 11.1860 -2.7790 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3880 13.7010 -3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1210 12.8510 -1.5620 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1120 13.3900 -3.6370 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9220 14.6930 -3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4910 15.6120 -4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5580 12.4480 -2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 5 1 0
5 4 1 0
5 11 1 0
4 7 1 0
7 9 1 0
11 10 1 0
6 12 1 0
12 8 2 0
9 12 1 1
9 10 1 0
M END