matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-6xfn.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -2.7170    1.6270  -13.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5050    2.3250  -12.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4600    2.7130  -13.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770    4.0890  -14.2120 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9150    4.4970  -14.1720 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2160    3.9060  -15.8320 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1240    4.3000  -15.7070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9070    4.9940  -16.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0630    5.0540  -17.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  3  1  0
  4  5  1  6
  6  4  1  0
  6  7  1  1
  8  6  1  0
  9  8  1  0
M  END