matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0766_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.4380   12.2410   -2.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   12.7920   -1.8830 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1530   13.0960   -3.9680 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0080   11.1310   -2.6740 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4320   13.4190   -4.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7730   14.8520   -4.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6640   15.3910   -3.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5380   14.4670   -3.7200 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5410   14.5190   -2.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950   14.4350   -2.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3220   15.0060   -0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2160   14.8280   -1.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7400   14.7770   -1.3110 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  3  1  1  1
  1  4  1  0
  3  5  1  0
  3  8  1  0
  5  6  1  0
  8  7  1  0
  8  9  1  1
  6  7  1  0
  9 10  2  0
  9 12  1  0
 10 13  1  0
 12 11  2  0
 13 11  1  0
M  END