matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10201.mol

Summary

Maintainability
Test Coverage
x10201
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.4700   -0.6150   20.7690 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8590   -1.0820   22.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1890    0.8310   20.9140 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0070   -1.9010   21.0170 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3110   -0.1820   22.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7880    0.6730   17.4100 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3860    0.4150   23.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0370    0.1230   23.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5870   -0.7620   22.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1110   -0.9840   22.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6090   -0.1710   21.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7880    0.0160   19.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250    0.7440   19.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0520    1.4280   18.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710    1.3710   17.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3270    0.0110   18.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5190   -1.3820   21.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  2  5  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  1 11  1  0
  3 11  2  0
 10 11  1  0
  1 12  1  0
 12 13  1  0
 13 14  2  0
  6 15  2  0
 14 15  1  0
  6 16  1  0
 12 16  2  0
  2 17  1  0
  9 17  2  0
M  END