fragmenstein/demo/mac1_mols/diamond-x0792_A.mol
RDKit 3D
9 9 0 0 0 0 0 0 0 0999 V2000
4.6980 23.1720 16.4500 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7390 21.0100 17.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6770 20.5540 16.3180 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0430 22.2790 16.8350 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5790 21.9970 16.4960 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4430 24.4260 16.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4630 24.6560 17.4060 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5090 25.6660 16.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1190 23.3660 17.9050 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0
1 6 1 0
5 4 1 0
6 7 1 0
2 3 1 0
4 2 1 1
4 9 1 0
9 7 1 0
7 8 1 6
M END