fragmenstein/demo/mac1_mols/diamond-x0091_B.mol
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
12.8390 21.0330 13.7490 N 0 0 0 0 0 0 0 0 0 0 0 0
12.3680 21.8060 14.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8300 16.9640 15.5100 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3530 19.6650 13.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7280 17.6860 14.9940 N 0 0 0 0 0 0 0 0 0 0 0 0
14.1960 20.8050 11.9370 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2470 18.6850 14.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1230 22.7930 12.9670 N 0 0 0 0 0 0 0 0 0 0 0 0
14.6510 18.6670 14.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9580 17.5830 15.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
16.2320 16.9350 15.5330 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7470 21.5110 12.8300 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1540 23.4040 12.1350 C 0 0 2 0 0 0 0 0 0 0 0 0
16.5720 23.1870 12.5000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9450 24.5150 12.7080 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
1 12 1 0
4 7 1 0
12 6 2 0
12 8 1 0
3 5 1 0
3 10 1 0
5 7 2 0
10 9 2 0
10 11 1 0
7 9 1 0
13 8 1 1
13 14 1 0
13 15 1 0
14 15 1 0
M END