fragmenstein/demo/mac1_mols/diamond-x0598_A.mol
RDKit 3D
12 12 0 0 0 0 0 0 0 0999 V2000
7.6410 23.7670 14.8450 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1170 21.1370 14.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7980 23.0570 13.9330 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2170 24.0060 16.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4760 23.1850 16.8880 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7750 22.9610 12.5320 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3170 23.7800 17.3810 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2080 24.8240 17.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0150 24.5270 16.6090 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4720 22.1370 16.6190 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7290 22.3680 17.4380 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4000 22.7850 13.8060 S 0 0 2 0 0 0 0 0 0 0 0 0
1 4 1 0
1 12 1 0
7 4 1 6
12 2 1 1
12 3 2 0
12 6 2 0
7 8 1 0
7 11 1 0
5 9 1 0
5 10 1 0
9 8 1 0
10 11 1 0
M END