fragmenstein/demo/mac1_mols/diamond-x0469_B.mol
RDKit 3D
14 14 0 0 0 0 0 0 0 0999 V2000
-5.5480 40.3970 6.1490 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.3210 38.8360 4.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0260 37.5950 5.1010 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7640 37.4220 5.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3380 35.1060 7.9990 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6890 38.2540 5.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7270 35.6290 6.8790 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4850 38.0960 6.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3160 39.0170 5.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3580 37.0710 6.9340 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4070 36.2000 7.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0690 34.7730 8.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6290 36.3860 6.5270 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8380 34.3460 6.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0
9 8 1 0
2 3 1 0
3 4 1 0
4 6 2 0
4 13 1 0
6 8 1 0
13 7 1 0
13 11 2 0
5 11 1 0
5 12 1 0
11 10 1 0
8 10 2 0
7 14 1 0
M END