fragmenstein/demo/mac1_mols/diamond-x0727_A.mol
RDKit 3D
13 13 0 0 0 0 0 0 0 0999 V2000
0.4140 11.3050 -5.6620 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5180 13.6550 -4.9450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6210 11.9150 -7.4910 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0330 12.2380 -4.7220 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2480 10.7860 -2.9810 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8140 11.1500 -6.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2890 12.6450 -2.3640 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2290 9.9360 -7.6880 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1160 10.2260 -8.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0970 9.1900 -7.8480 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5090 8.5990 -6.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0090 8.6720 -6.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8130 11.8120 -3.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
1 6 1 0
4 2 1 1
4 13 1 0
6 3 2 0
8 6 1 1
13 5 2 0
13 7 1 0
8 9 1 0
8 12 1 0
9 10 1 0
12 11 1 0
10 11 1 0
M END