fragmenstein/demo/mac1_mols/diamond-x0465_A.mol
RDKit 3D
13 13 0 0 0 0 0 0 0 0999 V2000
2.0620 13.2750 -4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6430 11.4910 -5.5490 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7810 12.5410 -4.5850 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0990 12.7820 -2.2180 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5860 10.8580 -5.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6610 10.7390 -3.0210 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7490 11.2140 -5.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9080 10.4740 -5.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9190 9.4010 -6.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7720 9.0360 -6.7400 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6240 9.7670 -6.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8580 12.0250 -3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4920 9.4350 -7.2080 F 0 0 0 0 0 0 0 0 0 0 0 0
3 1 1 6
3 2 1 0
3 12 1 0
2 5 1 0
5 7 2 0
5 11 1 0
12 4 2 0
12 6 1 0
7 8 1 0
11 10 2 0
11 13 1 0
8 9 2 0
9 10 1 0
M END