fragmenstein/demo/mac1_mols/diamond-x0849_A.mol
RDKit 3D
11 12 0 0 0 0 0 0 0 0999 V2000
-3.2530 15.0620 1.9700 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3700 15.2660 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5010 15.4110 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9870 14.6590 1.9300 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3810 15.3090 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1260 14.8950 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1450 14.5600 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2490 14.6660 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8790 14.8680 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1250 14.9910 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4600 15.5310 -2.6360 Br 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0
1 6 1 0
5 3 1 0
6 4 2 0
6 10 1 0
2 3 2 0
2 10 1 0
2 11 1 0
10 9 2 0
4 7 1 0
7 8 2 0
8 9 1 0
M END