matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10723.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
   11.0020    0.3760   23.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    0.5960   17.3770 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4030   -1.1440   21.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3070    0.6360   23.8280 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4930    0.8310   19.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7470   -0.9000   22.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740    1.0240   21.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4930   -0.4890   22.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8600    1.4360   18.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4880    0.0120   21.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3600   -0.5110   20.7890 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0540    0.9900   20.8290 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6530    0.0800   19.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0050   -0.6880   22.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1100   -0.0050   18.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1730    0.0140   23.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3860    1.2910   17.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8990   -1.8260   21.1380 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0
  6  3  1  0
  7  5  1  0
  8  3  2  0
  8  1  1  0
  9  5  1  0
 11 10  1  0
 12 10  2  0
 13 11  1  0
 13  5  2  0
 14 10  1  0
 14  8  1  0
 15 13  1  0
 15  2  2  0
 16  6  2  0
 16  4  1  0
 17  9  2  0
 17  2  1  0
 18  6  1  0
M  END