matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10535.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.2550    0.3790   20.0870 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5170    1.2360   17.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8950   -0.6260   22.2810 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5780    0.4240   17.7000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7720    1.6500   18.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9480   -0.4740   23.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    1.4150   21.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5510   -1.2080   22.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2820    0.4320   21.6120 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9820    0.1780   24.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0300   -1.7200   22.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8490   -1.3450   21.8700 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2990   -2.8000   22.9070 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2280   -1.2920   21.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8210    0.0540   21.4630 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2700   -0.6170   22.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9160    0.0050   18.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1510    1.2070   19.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6440    0.1060   23.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7470   -2.0840   21.4220 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0
  5  2  1  0
  8  6  1  0
  9  7  1  6
  9  3  1  0
 10  6  1  0
 11  3  1  0
 12 11  1  0
 13 11  1  0
 14  8  1  0
 15  9  1  0
 15  1  1  0
 15 12  1  6
 16  3  1  0
 16 14  1  0
 17  4  1  0
  1 17  1  6
 18  5  1  0
 18  1  1  0
 19 16  1  0
 19 10  1  0
 20  8  1  0
M  END