matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11317.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
   13.7350   -1.8750   21.1970 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.5670   -1.0860   22.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9990   -0.1670   23.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0570    0.4390   23.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7090    0.1460   23.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2320   -1.3870   22.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2810   -0.7480   22.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8100   -0.9830   22.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3300   -0.1760   21.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8570    0.8920   21.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2400   -0.6750   20.7780 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5600    0.0120   19.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4800    0.8640   20.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0200    1.0990   21.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -0.1440   18.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4300    0.4810   17.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3950    1.2880   17.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8850    1.5050   18.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8060    2.3670   19.1070 N   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
 10  9  2  0
 11  9  1  0
 12 11  1  0
 13 12  2  0
 14 13  1  0
 15 12  1  0
 16 15  2  0
 17 16  1  0
 18 17  2  0
 18 13  1  0
 19 18  1  0
M  END