matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11426.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
   13.7660   -1.8420   21.3540 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.5750   -0.9540   22.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9780    0.1040   23.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0200    0.7940   23.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6820    0.4400   23.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2490   -1.3270   22.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2800   -0.6000   22.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8200   -0.8270   22.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4270   -0.3190   21.1600 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7990    1.0620   21.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300   -0.4970   20.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5050   -0.0130   19.6210 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4530    0.8350   19.5050 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4280    1.0630   18.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3800    0.4310   17.4930 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0260   -0.2400   18.4200 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  5  1  0
  7  6  2  0
  8  7  1  0
  9  8  1  0
  9 10  1  1
 11  9  1  0
 12 11  1  0
 13 12  1  0
 14 13  2  0
 15 14  1  0
 16 15  2  0
 16 12  1  0
M  END