matteoferla/Fragmenstein

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

Summary

Maintainability
Test Coverage

     RDKit          3D

 12 13  0  0  0  0  0  0  0  0999 V2000
    6.2810   -0.4080   18.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2910    0.5390   19.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7690   -2.3980   18.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7080   -1.6780   19.3380 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1910   -1.4430   20.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1100   -0.8110   21.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2300    0.3210   20.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3700    1.1200   21.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940    2.1130   21.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640    2.3230   19.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5140    1.5330   18.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6670   -0.1000   17.6320 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  4  3  1  6
  4  1  1  0
  5  4  1  0
  6  5  1  0
  7  2  2  0
  7  6  1  0
  8  7  1  0
  9  8  2  0
 10  9  1  0
 11 10  2  0
 11  2  1  0
 12  1  2  0
M  END