fragmenstein/demo/mac1_mols/diamond-x0421_A.mol
RDKit 3D
11 12 0 0 0 0 0 0 0 0999 V2000
-3.7050 15.0780 -2.9380 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9080 14.8950 -1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6770 14.8000 -1.9950 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5530 14.9170 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9100 14.9310 1.6130 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9430 14.9440 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9330 14.8790 -0.3780 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.0790 14.8890 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3450 14.8130 1.7050 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.6640 14.8940 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2270 13.6070 1.5650 C 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 7 1 0
6 5 1 0
7 8 2 0
5 8 1 0
9 8 1 6
9 10 1 0
9 11 1 0
10 11 1 0
M END