fragmenstein/demo/mac1_mols/diamond-x0628_A.mol
RDKit 3D
12 12 0 0 0 0 0 0 0 0999 V2000
-1.9180 10.4690 -5.5410 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9490 9.0530 -7.3650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5520 10.9710 -2.9490 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9240 10.2330 -6.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3690 12.0110 -5.5440 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1950 12.8340 -1.9640 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5270 11.6020 -5.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0390 11.1310 -6.5090 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2690 12.3640 -3.9700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5030 13.1300 -5.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6150 12.6960 -4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0780 12.0680 -2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
1 7 2 0
4 2 1 0
4 8 2 0
7 5 1 0
7 9 1 0
3 12 2 0
12 6 1 0
12 11 1 0
8 5 1 0
5 10 1 0
10 11 1 0
M END