fragmenstein/demo/mac1_mols/diamond-x0737_B.mol
RDKit 3D
15 15 0 0 0 0 0 0 0 0999 V2000
15.6300 15.9720 11.7320 N 0 0 0 0 0 0 0 0 0 0 0 0
16.6050 17.0200 11.9680 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1430 14.3030 11.6370 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9760 14.6900 11.6260 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9790 12.5440 12.5930 N 0 0 0 0 0 0 0 0 0 0 0 0
11.3170 14.0490 13.5840 O 0 0 0 0 0 0 0 0 0 0 0 0
14.8290 13.7120 11.4730 C 0 0 1 0 0 0 0 0 0 0 0 0
11.7240 11.8340 14.5790 O 0 0 0 0 0 0 0 0 0 0 0 0
15.3230 12.3460 10.9620 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1810 11.3430 10.7960 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3900 11.2060 12.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0530 13.5420 12.7950 C 0 0 2 0 0 0 0 0 0 0 0 0
14.9440 13.1990 13.9780 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3640 11.9610 12.3870 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5890 12.6570 13.4150 S 0 0 2 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
4 3 2 0
7 4 1 1
7 9 1 0
7 12 1 0
5 11 1 0
5 12 1 0
5 15 1 0
11 10 1 0
12 13 1 1
15 6 2 0
15 8 2 0
15 14 1 6
9 10 1 0
M END