fragmenstein/demo/mac1_mols/diamond-x0822_A.mol
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
2.9000 24.6370 17.2950 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7820 25.7620 17.6300 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7640 24.6720 16.7310 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1470 25.1570 17.9340 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4730 26.0860 14.4130 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9980 25.7540 15.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6980 26.3560 15.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8320 26.8360 16.5100 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4790 27.3660 16.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0310 28.6010 16.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7470 29.0390 16.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1200 28.2370 15.5080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3220 27.0010 15.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8530 26.4000 14.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6260 26.5840 15.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6
2 4 1 0
2 8 1 0
4 3 1 0
8 7 1 0
8 9 1 6
3 6 1 0
6 7 1 0
5 13 1 0
5 14 1 0
13 12 1 0
13 15 2 0
9 10 2 0
9 15 1 0
10 11 1 0
11 12 2 0
M END