matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11417.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.2440    0.5290   20.9690 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5070   -0.3180   21.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740   -0.6280   21.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5880   -0.0130   19.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4200    0.7380   20.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8320    0.8800   21.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    1.3570   19.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3800    1.2210   17.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4820    0.5080   17.5760 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0650   -0.0990   18.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9240   -1.0920   22.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3230   -0.8750   23.0680 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1280   -2.0480   22.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5970   -1.8310   23.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4660   -0.5970   24.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9340   -0.3720   24.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7360   -1.5340   24.4680 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4560   -2.3220   25.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5480   -1.9740   25.7020 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8720   -3.6350   25.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  5  1  0
  8  7  2  0
  9  8  1  0
 10  9  2  0
 10  4  1  0
 11  2  1  0
 12 11  1  0
 13 12  1  0
 14 13  1  0
 15 12  1  0
 16 15  1  0
 17 16  1  0
 17 14  1  0
 18 17  1  0
 19 18  2  0
 20 18  1  0
M  END