matteoferla/Fragmenstein

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

Summary

Maintainability
Test Coverage

     RDKit          3D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.3280    5.3070   -8.1010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950    5.2440   -6.7210 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0690    4.9270   -5.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6300    4.7730   -4.4150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1870    4.1890   -6.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9150    3.9070   -7.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3220    4.4990   -7.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2950    5.9410   -7.5790 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4350    6.7060   -7.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6800    6.1180   -7.5280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3290    8.0760   -7.3420 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  3  2  1  0
  4  3  1  0
  5  2  1  0
  6  5  1  0
  7  6  1  0
  8  7  1  0
  9  8  1  0
 10  9  1  0
 11  9  1  0
M  END