matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1163.mol

Summary

Maintainability
Test Coverage
x1163
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
   21.7580   21.3950    4.6300 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8760   20.2070    3.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6570   19.3590    4.2110 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.0650   17.8660    4.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4090   17.3270    5.4820 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2800   16.3730    5.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7860   15.1330    6.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4070   13.9340    5.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0100   12.7740    6.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9920   12.7990    7.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3780   13.9780    7.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7740   15.1520    7.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6380   18.2680    6.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4760   19.2700    6.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9970   19.7860    5.3900 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
  7 12  1  0
 11 12  2  0
  5 13  1  0
 13 14  1  0
  3 15  1  0
 14 15  1  0
M  END