matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10834.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.5030    0.5050   17.2760 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5530    0.6780   19.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0460    0.0700   23.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8290    1.1040   21.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3150   -0.4750   22.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8770    1.3180   18.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3400    0.0340   21.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7180   -0.0660   19.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360   -0.1150   18.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    0.7400   23.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2330   -1.1720   22.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7760    0.4590   23.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5800   -0.8990   22.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    1.4550   21.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3950   -0.6260   20.7090 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2050    0.7330   21.1980 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3110   -1.9370   22.8910 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8300   -0.6260   22.7060 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8290   -1.9700   21.3830 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3990    1.2010   17.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  2  1  0
  7  4  2  0
  8  2  2  0
  9  8  1  0
  9  1  2  0
 10  3  2  0
 11  5  1  0
 12  5  2  0
 12 10  1  0
 13 11  2  0
 13  3  1  0
 15  8  1  0
 15  7  1  0
 16 14  1  0
 16  2  1  0
 18  7  1  0
 18 17  1  6
 18  5  1  0
 19 13  1  0
 20  6  2  0
 20  1  1  0
M  END