fragmenstein/demo/mac1_mols/diamond-x0814_B.mol
RDKit 3D
14 14 0 0 0 0 0 0 0 0999 V2000
12.9840 12.4750 12.5500 N 0 0 0 0 0 0 0 0 0 0 0 0
15.0060 13.1320 13.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4060 14.0400 13.5800 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0860 13.4640 12.7120 C 0 0 1 0 0 0 0 0 0 0 0 0
17.1810 14.1720 11.3630 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5930 11.9510 12.5590 O 0 0 0 0 0 0 0 0 0 0 0 0
14.8330 13.5800 11.3710 C 0 0 2 0 0 0 0 0 0 0 0 0
15.6770 15.7690 11.8400 O 0 0 0 0 0 0 0 0 0 0 0 0
15.2830 12.1950 10.8720 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1140 11.2180 10.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3670 11.1230 12.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7410 11.8310 14.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9400 14.6000 11.5460 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5740 12.6430 13.3320 S 0 0 1 0 0 0 0 0 0 0 0 0
1 4 1 0
1 11 1 0
1 14 1 0
4 2 1 1
4 7 1 0
11 10 1 0
14 3 2 0
14 6 2 0
14 12 1 1
7 9 1 0
7 13 1 1
5 13 1 0
13 8 2 0
9 10 1 0
M END