matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0128_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.4860   14.8670    2.6480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7160   15.2410    3.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6490   15.5340    2.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0220   14.8880    1.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7640   15.2740    4.4740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8930   14.7550    0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9220   18.0440    5.6860 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4150   14.8580   -1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0680   15.0570   -1.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2020   15.1870   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6690   15.1120    1.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5830   16.0710    5.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7890   15.6790    6.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5540   16.4790    7.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0970   17.6460    6.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1670   17.2690    4.8930 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  5  1  0
  4  6  2  0
  4 11  1  0
  5 12  1  0
  6  8  1  0
 11 10  2  0
 12 13  1  0
 12 16  2  0
  8  9  2  0
  7 15  2  0
  7 16  1  0
 15 14  1  0
  9 10  1  0
 13 14  2  0
M  END