matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0742_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -4.6040   13.5170   -0.2140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2720   12.3960   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9310   11.7730   -1.5860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7400   14.3400    0.9950 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1000   14.1340    1.7890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5350   14.0830    1.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2540   14.1460    1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3160   14.1770   -0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1100   14.1880   -1.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0820   14.1820   -0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370   14.1630    1.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6280   14.1770   -1.0840 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1160   15.6270   -1.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7110   15.7590    0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3980   11.9460    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  1 12  1  0
  2  3  2  0
  2 15  1  0
  4  6  1  1
  4 14  1  0
 12  8  1  0
 12 13  1  1
  6  7  1  0
 14 13  1  0
  5  7  2  0
  5 11  1  0
  7  8  1  0
 11 10  2  0
  8  9  2  0
  9 10  1  0
M  END