matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10421.mol

Summary

Maintainability
Test Coverage
x10421
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.0420   -5.2150   25.0330 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9630   -5.6340   26.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530   -2.6580   20.8660 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1470   -3.7760   24.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6240   -0.5020   21.4550 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7860   -3.4530   23.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0690    0.1990   17.8360 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7630   -1.9520   23.0260 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1210   -1.7360   21.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2210    0.0980   20.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1490    0.9760   20.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5370    1.4410   19.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.0310   17.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6410   -0.2610   18.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1570   -1.3370   23.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4870   -0.3900   24.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7210    0.2440   23.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6400   -0.0600   23.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3350   -1.0200   22.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1030   -1.6560   22.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  4  6  1  0
  8  6  1  1
  3  9  2  0
  5  9  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  2  0
  7 13  2  0
 12 13  1  0
  7 14  1  0
 10 14  2  0
  8 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 15 20  1  0
 19 20  2  0
M  END