matteoferla/Fragmenstein

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

Summary

Maintainability
Test Coverage

     RDKit          3D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -6.0720   11.4680  -14.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5940   11.3990  -15.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7250   11.0110  -16.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7470   11.0770  -14.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3680   10.6140  -16.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8170   10.6420  -15.4180 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2930    9.0890  -13.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6510    9.5200  -12.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3550   10.1170  -15.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  1  1  0
  5  3  1  0
  6  5  1  0
  6  4  1  0
  8  7  1  0
  9  7  1  0
  6  9  1  1
M  END