matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0796_B.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 15 17  0  0  0  0  0  0  0  0999 V2000
   12.6890   10.8550   11.4490 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9240   11.5220   12.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7060   11.5840   12.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0840   10.8680   11.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7770   13.1820   14.1870 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7470   11.7810   12.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1300   11.6790   12.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8320   10.6860   11.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1710    9.7910   10.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7980    9.8790   10.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9350   12.8250   13.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6170   12.1920   13.4980 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.7960   12.8450   15.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8890   11.3370   15.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8580   11.0630   14.5230 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 12  1  0
  4  6  2  0
  4 10  1  0
 12  5  1  0
 12 11  1  6
 12 15  1  0
  6  7  1  0
  6 11  1  0
 10  9  2  0
  5 13  1  0
 13 14  1  0
  7  8  2  0
  8  9  1  0
 15 14  1  0
M  END