matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11044.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.7400   -0.3460   21.3140 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5590    1.0330   18.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2960   -0.0500   23.1570 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8380    0.3060   21.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8370   -0.2330   23.1970 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8840   -1.4270   22.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3880   -1.6950   23.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -0.6190   24.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    0.8510   20.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3540   -0.1110   18.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9560    0.1040   20.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0690    1.2930   19.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    1.2300   21.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8140    1.0820   24.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6850    0.3520   17.8350 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3770    1.2010   21.1130 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3570   -1.3180   22.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750   -0.4900   24.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0
  4  3  1  0
  5  3  1  0
  7  6  1  0
  8  7  1  0
 11 10  1  0
 11  9  2  0
 11  1  1  0
 12  9  1  0
 12  2  2  0
 13  9  1  0
  3 14  1  1
 15 10  2  0
 15  2  1  0
 16  4  2  0
  5 17  1  6
 17  6  1  0
 18  5  1  0
 18  8  1  0
M  END