matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10555.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 19  0  0  0  0  0  0  0  0999 V2000
    9.8140    0.4670   21.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9700    0.1530   21.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3390   -0.4050   23.2090 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8310   -0.8470   23.4020 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8970   -1.1330   22.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7390    0.0290   22.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8740    0.0790   24.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3040   -2.0980   24.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -1.8540   23.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500    0.3780   21.6820 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8930    0.4600   20.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    0.8520   20.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    1.0640   21.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4350    0.2010   19.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7650    0.3740   18.0800 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5030    0.8060   18.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8600    1.0420   19.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  6
  4  3  1  0
  4  5  1  6
  6  5  1  0
  7  4  1  0
  7  6  1  0
  8  4  1  0
  9  8  1  0
  9  3  1  0
 10  2  1  0
 11 10  1  0
 12 11  2  0
 13 12  1  0
 14 11  1  0
 15 14  2  0
 16 15  1  0
 17 16  2  0
 17 12  1  0
M  END