matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0290_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -7.6150   13.7870    1.2440 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5090   14.8130    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3960   14.2090   -0.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4350   14.3630    1.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580   14.7030    1.5350 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2480   14.4170    0.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7130   14.5770    1.7490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7880   14.6840    0.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6890   14.7420   -0.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4350   14.6820   -1.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2910   14.6460   -2.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   14.6060   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5060   14.5480    1.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  4  6  1  0
  3  6  2  0
  6  5  1  0
  5  8  1  0
  8  7  2  0
  8  9  1  0
  7 13  1  0
 13 12  2  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
M  END