fragmenstein/demo/mac1_mols/diamond-x0864_A.mol
RDKit 3D
12 12 0 0 0 0 0 0 0 0999 V2000
-0.2160 11.7510 -5.3340 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4400 11.3060 -6.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4360 11.8990 -6.8700 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4420 12.7420 -4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6430 10.8660 -3.0180 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8110 12.1540 -3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2260 12.8470 -2.2570 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4410 11.2730 -4.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0320 10.2610 -5.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3210 9.7320 -6.7300 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1460 10.2360 -7.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0190 8.2220 -7.5870 Br 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
1 8 1 0
2 3 2 0
2 11 1 0
4 6 1 0
8 9 2 0
11 10 2 0
6 5 1 0
6 7 2 0
9 10 1 0
10 12 1 0
M END