matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10626.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 19  0  0  0  0  0  0  0  0999 V2000
    9.5910    1.1780   21.1750 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4450   -0.0180   21.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4400   -0.7890   22.2610 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9940   -0.0690   23.4830 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3030   -0.8840   24.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -1.3800   24.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1370   -2.1510   23.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0050   -1.2920   22.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8680   -0.2580   22.2820 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4120   -0.7530   20.9640 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4310   -0.2290   20.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1930    0.2220   20.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8290    0.0690   22.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650   -0.0940   18.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7860    0.4400   17.8460 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6220    0.8660   18.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2950    0.7930   19.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  6
  4  3  1  0
  4  5  1  1
  6  5  1  0
  7  6  1  0
  8  7  1  0
  9  3  1  0
  9  8  1  1
  9  4  1  0
 10  2  1  0
 11 10  1  0
 12 11  2  0
 13 12  1  0
 14 11  1  0
 15 14  2  0
 16 15  1  0
 17 16  2  0
 17 12  1  0
M  END