matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-6xbh.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.9560   10.8610   -9.4180 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   10.1380  -10.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5910   10.3250  -10.9080 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8840    9.2560  -11.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9050    8.1420  -11.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8390    8.7880  -10.7330 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3490    7.9320   -9.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6470    6.6260  -10.0580 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5600    6.8970  -10.8210 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3620    5.7320   -8.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4130    5.2300   -8.2190 O   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  1  0
  6  5  1  0
  6  2  1  0
  6  7  1  1
  8  7  1  0
  8  9  1  1
 10  8  1  0
 11 10  2  0
M  END