fragmenstein/demo/mac1_mols/diamond-x0301_B.mol
RDKit 3D
12 12 0 0 0 0 0 0 0 0999 V2000
18.6030 28.6670 5.5820 N 0 0 0 0 0 0 0 0 0 0 0 0
21.4590 27.2740 6.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
19.7480 27.8260 3.8000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.0940 26.7860 5.9350 C 0 0 2 0 0 0 0 0 0 0 0 0
18.2390 30.1540 3.7370 N 0 0 0 0 0 0 0 0 0 0 0 0
20.2240 25.4490 5.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
17.6010 31.2960 3.5980 N 0 0 0 0 0 0 0 0 0 0 0 0
19.4810 27.8000 4.9970 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9590 31.4940 4.7250 N 0 0 0 0 0 0 0 0 0 0 0 0
17.9570 29.7340 4.9830 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1310 30.5380 5.6340 N 0 0 0 0 0 0 0 0 0 0 0 0
16.0890 32.6430 4.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0
1 10 1 0
8 3 2 0
8 4 1 0
10 5 1 0
10 11 2 0
4 2 1 6
4 6 1 0
5 7 2 0
7 9 1 0
9 11 1 0
9 12 1 0
M END