matteoferla/Fragmenstein

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

Summary

Maintainability
Test Coverage

     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
    6.2040   -4.8890   16.8640 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6120   -5.2450   16.7910 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2820   -5.2470   18.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3160   -3.6370   18.8650 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8430   -6.6130   16.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1190   -7.5790   16.3980 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0600   -3.5690   19.6920 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  4  1  0
M  END