matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10329.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
   13.8460   -1.6370   21.2240 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.7220   -0.7620   22.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000    0.1570   23.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3040    0.7600   23.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9520    0.4670   23.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3770   -1.0540   22.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4710   -0.4160   22.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9810   -0.5770   22.7200 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5430   -2.0490   22.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6120   -2.7020   24.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6050    0.2120   21.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0890    1.3130   21.2200 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7280   -0.3930   20.6270 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6410    0.0040   19.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6260    0.8690   20.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750    0.9850   21.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8760    1.5410   19.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0830    1.3950   18.0140 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0590    0.5480   17.5740 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7760   -0.1260   18.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  2  1  0
  7  6  2  0
  7  5  1  0
  8  7  1  0
  8  9  1  6
 10  9  1  0
 11  8  1  0
 12 11  2  0
 13 11  1  0
 14 13  1  0
 15 14  2  0
 16 15  1  0
 17 15  1  0
 18 17  2  0
 19 18  1  0
 20 19  2  0
 20 14  1  0
M  END