fragmenstein/demo/mac1_mols/diamond-x0742_A.mol
RDKit 3D
15 17 0 0 0 0 0 0 0 0999 V2000
-4.6040 13.5170 -0.2140 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2720 12.3960 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9310 11.7730 -1.5860 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7400 14.3400 0.9950 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1000 14.1340 1.7890 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5350 14.0830 1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2540 14.1460 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3160 14.1770 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1100 14.1880 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0820 14.1820 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0370 14.1630 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6280 14.1770 -1.0840 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1160 15.6270 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7110 15.7590 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3980 11.9460 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
1 12 1 0
2 3 2 0
2 15 1 0
4 6 1 1
4 14 1 0
12 8 1 0
12 13 1 1
6 7 1 0
14 13 1 0
5 7 2 0
5 11 1 0
7 8 1 0
11 10 2 0
8 9 2 0
9 10 1 0
M END