matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0574_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.4840   13.9130    1.7450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8630   14.7100    2.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5290   14.8890    1.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2090   14.8320    0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   14.2920    2.0030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9270   15.0450   -0.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6200   15.0740   -1.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6050   14.8440   -0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930   14.2940    1.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8880   14.5950    1.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2040   14.6020    1.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8950   14.7070   -0.4120 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0
  9  5  2  0
  9 12  1  0
  2  3  1  0
  3  4  1  0
  4  6  2  0
  4 11  1  0
  6  7  1  0
 11 10  2  0
  5 10  1  0
 10  8  1  0
  7  8  2  0
  8 12  1  0
M  END