fragmenstein/demo/mac1_mols/diamond-x0855_A.mol
RDKit 3D
10 10 0 0 0 0 0 0 0 0999 V2000
-0.3960 11.7940 -5.1920 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5430 10.2020 -6.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3670 12.8340 -2.4100 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3000 10.7620 -6.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6660 11.9780 -4.7460 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7970 10.8130 -3.1100 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6890 12.6140 -4.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9730 11.9990 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3570 10.9790 -5.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0360 8.6850 -7.1040 Br 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
1 5 1 0
1 7 1 0
4 2 2 0
5 9 2 0
7 8 1 0
2 9 1 0
2 10 1 0
3 8 1 0
8 6 2 0
M END