fragmenstein/demo/mac1_mols/diamond-x0837_A.mol
RDKit 3D
8 8 0 0 0 0 0 0 0 0999 V2000
-5.6900 14.9880 1.3610 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.3290 14.9030 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5630 14.7800 0.1240 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4840 14.9030 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1620 14.9320 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5380 15.0010 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3460 15.0360 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9930 14.7860 -2.5870 I 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