matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0072.mol

Summary

Maintainability
Test Coverage
x0072
     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.4330   -4.9890   26.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0940   -4.3970   26.1490 S   0  0  2  0  0  0  0  0  0  0  0  0
    9.0810   -5.4820   26.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6400   -3.5530   27.1980 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0630   -3.5710   24.6590 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3170   -3.0640   24.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2140   -1.7820   23.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6090   -1.1800   23.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9160   -0.1350   24.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2070    0.3680   24.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1860   -0.1850   23.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8760   -1.2370   22.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5880   -1.7300   22.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
  8 13  1  0
 12 13  2  0
M  END