matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-7kfj.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.0650    6.6200   -2.6380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9300    6.9540   -1.5600 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2060    7.2300   -0.3600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8160    5.7580   -1.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2220    4.4480   -1.6350 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4860    3.3700   -0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2820    3.0410    0.2330 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6840    2.3940    1.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4890    0.8810    1.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0380    0.4820    1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    1.4890    0.4300 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2880    2.4570    1.2670 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    2.1710   -0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  3  2  1  0
  4  2  1  0
  5  4  1  0
  6  5  1  0
  7  6  1  6
  8  7  1  0
  9  8  1  0
 10  9  1  0
 11 10  1  0
 11 12  1  1
 13 11  1  0
 13  7  1  0
M  END