matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-6xa4.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -0.3670    4.0080   -6.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0840    3.6960   -5.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510    4.3540   -7.2920 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8460    3.0130   -7.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250    3.1480   -8.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5470    1.5150   -9.2000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3280    1.8600   -9.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2530    4.8680   -8.3840 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  1  1  0
  4  3  1  0
  5  4  1  0
  6  5  1  0
  7  6  1  0
  3  8  1  6
M  END