fragmenstein/demo/mac1_mols/diamond-x0766_A.mol
RDKit 3D
13 14 0 0 0 0 0 0 0 0999 V2000
0.4380 12.2410 -2.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2220 12.7920 -1.8830 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1530 13.0960 -3.9680 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0080 11.1310 -2.6740 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4320 13.4190 -4.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7730 14.8520 -4.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6640 15.3910 -3.4940 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5380 14.4670 -3.7200 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5410 14.5190 -2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8950 14.4350 -2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3220 15.0060 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2160 14.8280 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7400 14.7770 -1.3110 S 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
3 1 1 1
1 4 1 0
3 5 1 0
3 8 1 0
5 6 1 0
8 7 1 0
8 9 1 1
6 7 1 0
9 10 2 0
9 12 1 0
10 13 1 0
12 11 2 0
13 11 1 0
M END