matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11318.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
   14.2440   -1.9630   20.4970 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5400   -1.5050   21.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6130   -0.9350   22.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0710   -0.1190   23.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1660    0.4200   24.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8090    0.1810   23.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500   -1.1890   22.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3370   -0.6060   22.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8570   -0.8000   22.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3980   -0.0310   21.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    0.9480   21.0980 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -0.4880   20.9670 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5610    0.1310   19.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4160    0.9090   20.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9200    1.1490   21.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0390   -0.0300   18.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4440    0.5090   17.5380 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3420    1.2380   17.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7820    1.4820   19.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6580    2.3120   19.1480 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0
  3  2  1  0
  4  3  2  0
  5  4  1  0
  6  5  2  0
  7  3  1  0
  8  6  1  0
  8  7  2  0
  9  8  1  0
 10  9  1  0
 11 10  2  0
 12 10  1  0
 13 12  1  0
 14 13  2  0
 15 14  1  0
 16 13  1  0
 17 16  2  0
 18 17  1  0
 19 18  2  0
 19 14  1  0
 20 19  1  0
M  END