matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x1092_B.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -9.0830   35.3840    6.7700 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0730   34.3240    6.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2380   34.1740   10.7320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9820   35.3860    7.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5390   36.6020   10.2710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8180   34.4980    8.8090 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3120   34.4220    9.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7750   35.8490    9.2640 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.7960   36.5640    7.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1370   36.3970    7.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7550   37.1200    6.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4060   38.2480    5.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2800   38.7370    4.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4880   38.1100    4.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8480   36.9710    4.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9720   36.4860    5.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6310   35.8790   10.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5650   35.1730    9.9710 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  1 16  1  0
  6  4  1  6
  4 10  2  0
 16 11  2  0
 16 15  1  0
 18  3  1  1
 18  6  1  0
 18 17  1  0
  6  7  1  0
 10  9  1  0
 10 11  1  0
  5  8  1  0
  5 17  1  0
  8  7  1  0
  8  9  1  6
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
M  END