fragmenstein/demo/mac1_mols/diamond-x1015_A.mol
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
-0.2230 12.2720 -3.9630 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4850 14.4130 -4.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3410 10.5720 -2.5670 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8440 8.8750 -8.4900 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.1460 13.7360 -3.9620 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5390 12.7930 -1.9630 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6270 15.0930 -2.0580 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2130 11.7460 -2.7950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3690 14.0080 -2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6580 11.5030 -5.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0340 11.6300 -6.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3920 10.8150 -7.3400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3610 9.8630 -7.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9850 9.7070 -5.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6460 10.5460 -4.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0
1 8 1 0
1 10 1 0
5 2 1 1
5 9 1 0
8 3 2 0
8 6 1 0
10 11 2 0
10 15 1 0
4 13 1 0
13 12 2 0
13 14 1 0
9 6 1 0
9 7 2 0
11 12 1 0
15 14 2 0
M END