matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-6yt8.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

  9 10  0  0  0  0  0  0  0  0999 V2000
    6.6020   -4.0420   22.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6030   -3.7130   23.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6400   -4.6850   24.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7210   -5.9430   23.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7380   -6.1980   22.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6570   -5.2390   22.3150 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6560   -5.5610   21.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8480   -2.8490   22.4460 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9460   -4.0000   21.0880 Zn  0  0  0  0  0  2  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  3  1  0
  5  4  1  0
  6  5  1  0
  6  1  1  0
  7  6  1  0
  8  1  1  0
  9  7  1  0
  9  8  1  0
M  END