fragmenstein/demo/mac1_mols/diamond-x0587_A.mol
RDKit 3D
13 13 0 0 0 0 0 0 0 0999 V2000
-7.7990 15.1070 4.0960 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2660 15.0130 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4700 15.1320 2.5820 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2760 14.8000 1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9920 14.8130 0.9810 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.9050 14.8680 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8000 14.5730 -0.6010 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5140 14.6730 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6640 14.6360 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5650 14.6380 -1.4180 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.3430 15.0100 -1.0960 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.4480 13.4300 -1.9250 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.9600 15.4440 -2.3930 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 6 2 0
4 9 1 0
6 5 1 0
9 7 2 0
5 8 2 0
8 7 1 0
8 10 1 0
10 11 1 1
10 12 1 0
10 13 1 0
M END