matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0299_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
   13.9340    8.2190   12.3960 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8450    8.5570   16.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0170    8.5550   13.1760 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1490    7.5700   15.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4670    5.7820   11.1850 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2610    8.2720   14.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7210    6.6280    9.1380 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8230    8.3460   13.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3280    8.2730   11.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4960    6.8800   10.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000    4.7430   10.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8140    3.3760   10.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0770    2.5570    9.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2160    3.0860    8.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000    4.4480    7.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8520    5.2600    9.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0
  1  9  1  0
  8  3  2  0
  8  6  1  0
  9 10  1  0
  2  4  1  0
  4  6  1  0
  5 10  2  0
  5 11  1  0
 10  7  1  0
 11 12  2  0
 11 16  1  0
  7 16  1  0
 16 15  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
M  END