matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1012.mol

Summary

Maintainability
Test Coverage
x1012
     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   24.5590   -7.7660    5.2020 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.7000   -7.2670    3.9170 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4880   -8.8820    5.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2750   -7.5770    5.4870 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6810   -6.8310    6.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2720   -8.4040    7.4980 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4310   -7.9600    6.1850 S   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  6
  1  3  1  0
  1  5  1  0
  7  3  1  6
  4  7  2  0
  5  7  1  0
  6  7  2  0
M  END