fragmenstein/demo/mac1_mols/diamond-x0516_A.mol
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
3.8870 24.9920 16.5240 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4460 24.0350 17.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5170 22.6190 17.2150 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9380 23.9660 17.4480 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.2830 25.9070 15.8930 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3380 24.8660 16.3710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1710 25.1590 14.0150 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3330 26.1920 15.8770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 26.2270 15.9010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1460 26.6630 17.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2360 26.5880 17.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9250 26.0740 16.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4540 25.5170 14.5300 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2710 25.6680 14.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0980 25.7450 14.8180 C 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0
1 8 1 0
6 4 1 0
8 9 1 0
4 2 1 6
4 3 1 0
5 12 1 0
5 13 1 0
12 11 2 0
12 14 1 0
13 7 1 0
7 14 1 0
14 15 2 0
9 10 2 0
9 15 1 0
10 11 1 0
M END