matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-6xb0.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

  8  7  0  0  0  0  0  0  0  0999 V2000
    6.3590   -5.0420   17.0070 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7710   -5.3760   16.9150 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9560   -6.7280   16.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2100   -7.6710   16.4200 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4580   -5.3540   18.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3040   -3.7520   19.0070 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0770   -4.0130   20.2030 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9580   -4.8900   19.7340 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  3  2  1  0
  4  3  1  0
  5  2  1  0
  6  5  1  0
  7  6  1  0
  8  7  1  0
M  END