fragmenstein/demo/mac1_mols/diamond-x0844_A.mol
RDKit 3D
8 8 0 0 0 0 0 0 0 0999 V2000
-5.7750 14.8860 1.1520 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.3900 14.9090 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6270 14.8810 -0.1300 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5350 14.9920 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1960 15.0200 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6000 15.0250 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4300 14.9600 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0840 14.9390 -2.5360 Br 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 7 1 0
2 3 2 0
2 4 1 0
7 6 2 0
4 5 2 0
5 6 1 0
5 8 1 0
M END