matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0797_B.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -8.0390   29.9470  -14.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0680   26.5230  -14.8910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7570   29.5560  -13.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4090   25.6500  -13.6750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5390   30.0360  -14.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7250   26.8050  -10.2920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3480   29.7820  -13.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3450   29.0400  -12.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5320   28.5350  -12.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7440   28.7730  -12.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0270   28.1650  -12.2040 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.2870   26.6840  -12.5820 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.4820   26.2210  -13.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9550   25.8630  -11.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1000   28.1290  -10.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
  3  5  2  0
  3 10  1  0
  2 13  1  0
 13  4  2  0
 12 13  1  6
  5  7  1  0
 10  9  2  0
 11 10  1  1
  7  8  2  0
  6 14  1  0
  6 15  1  0
 14 12  1  0
 15 11  1  0
  8  9  1  0
 11 12  1  0
M  END