matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10478.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 19  0  0  0  0  0  0  0  0999 V2000
    9.7010    0.9020   21.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010   -0.1550   21.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0310   -0.6410   21.1450 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2060   -0.0860   20.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5920   -0.0650   18.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8300    0.4430   17.8250 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6380    0.9410   18.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1660    0.9610   19.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9530    0.4520   20.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4930    0.5280   21.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8810   -1.0540   22.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3710   -0.7370   22.8790 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7620    0.3840   23.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5780   -0.3440   24.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3570   -1.4000   24.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3970   -1.8240   23.0370 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3620   -0.9830   21.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  6  2  0
  8  7  1  0
  9  8  2  0
  9  4  1  0
 10  9  1  0
 11  2  1  0
 12 11  1  6
 13 12  1  0
 14 13  1  0
 15 14  1  0
 16 15  1  1
 16 12  1  0
 17 16  1  0
 17 12  1  0
M  END