fragmenstein/demo/mac1_mols/diamond-x0371_A.mol
RDKit 3D
18 20 0 0 0 0 0 0 0 0999 V2000
-8.2600 14.3580 2.9620 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.8550 15.3730 3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5320 16.2150 3.0030 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3660 14.1990 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9210 14.6510 1.5000 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.9520 14.4460 5.6460 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0820 14.5610 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9900 14.8090 -0.4470 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.0060 14.9720 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6260 15.1330 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9370 15.3550 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6070 15.4370 -1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9840 15.3050 -1.8990 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6640 15.0660 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6890 15.4230 5.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1610 16.2740 5.9860 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7110 15.7940 7.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9970 14.7050 6.9810 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
2 3 2 0
2 15 1 0
4 7 1 0
15 6 1 0
15 16 2 0
7 5 2 0
7 8 1 0
5 9 1 0
9 10 2 0
9 14 1 0
6 18 1 0
18 17 2 0
8 14 1 0
14 13 2 0
10 11 1 0
11 12 2 0
12 13 1 0
16 17 1 0
M END