fragmenstein/demo/mac1_mols/diamond-x0681_A.mol
RDKit 3D
12 13 0 0 0 0 0 0 0 0999 V2000
-4.5020 15.4790 -2.1400 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4340 14.8020 -1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5150 14.4900 -2.5190 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4870 14.3420 -0.3200 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.5230 13.3620 0.7170 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8330 15.5300 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9410 12.5980 -1.2700 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2540 15.0450 1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5070 14.1900 1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4910 12.4720 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1320 12.0290 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6220 13.4110 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
4 2 1 6
4 6 1 0
4 12 1 0
6 8 1 0
12 5 1 0
12 7 2 0
5 9 1 0
5 10 1 0
9 8 1 0
10 11 2 0
7 11 1 0
M END