matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10610.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
   11.7180    0.8950   23.7460 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9050    0.1980   23.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8310   -0.6380   22.8010 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4530   -1.9590   22.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4220   -2.7940   23.4860 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1600   -2.5470   24.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -1.0650   23.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2200    0.1830   21.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9400    0.9230   21.0040 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8870    0.1960   21.5380 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0980    0.3560   20.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7420    0.6710   20.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1280    0.9080   21.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5970    0.1680   19.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690    0.3420   17.9710 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5940    0.7080   18.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    0.8680   19.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0
  3  2  1  1
  4  3  1  0
  5  4  1  0
  6  5  1  0
  7  6  1  0
  7  3  1  0
  8  3  1  0
  9  8  2  0
 10  8  1  0
 11 10  1  0
 12 11  2  0
 13 12  1  0
 14 11  1  0
 15 14  2  0
 16 15  1  0
 17 16  2  0
 17 12  1  0
M  END