matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0173_B.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
   15.2020   17.7160  -15.8620 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0600   16.3710  -15.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0080   15.6380  -15.6050 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4760   18.3580  -15.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3660   19.8340   -8.9020 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2360   14.7500  -16.3910 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6630   18.6830  -14.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8160   15.8680  -16.1350 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7760   19.5200  -13.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9580   19.8490  -12.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0450   19.3330  -11.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2150   19.6290  -10.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9500   18.5040  -12.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7480   18.1810  -13.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6270   16.7300  -16.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5200   16.0220  -16.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3920   13.9150  -16.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5280   14.5040  -15.6580 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  8  1  0
  4  7  1  0
  8 15  1  0
  8 18  1  0
  7  9  2  0
  7 14  1  0
  5 12  3  0
 12 11  1  0
  6 16  1  0
  6 17  1  0
 16 15  1  0
 17 18  1  0
  9 10  1  0
 14 13  2  0
 10 11  2  0
 11 13  1  0
M  END