matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0669.mol

Summary

Maintainability
Test Coverage
x0669
     RDKit          3D

 14 15  0  0  0  0  0  0  0  0999 V2000
   21.7590   -8.0380    5.7900 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   23.5450   -8.0560    5.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2910   -6.7740    6.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6620   -6.7510    6.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4020   -7.9470    5.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6780   -9.2050    5.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4820  -10.4530    5.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8310  -11.1350    6.2270 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.8140  -10.5440    6.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2820  -11.3220    8.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2530  -12.7440    8.0750 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.4000  -13.2930    7.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1910  -12.4660    5.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2680   -9.2300    5.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  8 13  1  0
 12 13  1  0
  2 14  1  0
  6 14  2  0
M  END