fragmenstein/demo/mac1_mols/diamond-x0158_B.mol
RDKit 3D
14 14 0 0 0 0 0 0 0 0999 V2000
14.4090 13.1100 13.1730 N 0 0 0 0 0 0 0 0 0 0 0 0
17.3640 17.7400 11.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9050 15.9680 11.7480 O 0 0 0 0 0 0 0 0 0 0 0 0
16.1770 17.3850 11.9660 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9840 15.5710 13.9620 O 0 0 0 0 0 0 0 0 0 0 0 0
15.8090 15.1930 12.8340 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9970 11.1530 14.8640 O 0 0 0 0 0 0 0 0 0 0 0 0
15.4720 13.7780 12.4290 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8860 11.8430 12.5040 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1950 13.9260 13.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1380 13.4050 14.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1660 10.9570 13.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0790 11.8200 12.5730 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6300 11.7750 13.7330 S 0 0 1 0 0 0 0 0 0 0 0 0
1 8 1 0
1 10 1 0
1 13 1 0
8 6 1 0
10 11 1 0
13 12 1 0
2 4 1 0
4 3 1 0
3 6 1 0
6 5 2 0
7 14 2 0
14 9 2 0
14 11 1 1
14 12 1 0
M END