fragmenstein/demo/mac1_mols/diamond-x0600_A.mol
RDKit 3D
14 14 0 0 0 0 0 0 0 0999 V2000
-12.5000 25.6490 16.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4000 26.6990 17.0240 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.2790 26.3470 16.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8030 27.5980 10.7560 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.1440 26.6250 14.7900 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8290 30.5680 10.3430 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0070 27.2850 14.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8770 30.2040 11.1080 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8670 27.5930 12.9840 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8730 27.2490 12.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6800 28.3380 10.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7420 29.8110 10.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.0070 26.5740 12.5330 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1400 26.2670 13.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0
3 2 2 0
3 5 1 0
5 7 2 0
5 14 1 0
4 10 1 0
4 11 1 0
10 9 2 0
10 13 1 0
11 12 1 0
7 9 1 0
14 13 2 0
6 12 2 0
12 8 1 0
M END