matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0874.mol

Summary

Maintainability
Test Coverage
x0874
     RDKit          3D

 13 14  0  0  0  0  0  0  0  0999 V2000
   10.2000    3.1190   22.2370 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4130    1.8780   22.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    1.3720   21.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0270    1.2230   23.6040 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7030    1.1260   23.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3160   -0.3850   23.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6870   -1.0760   23.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6060   -0.3380   23.6920 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0340   -0.4220   23.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0370    0.5040   23.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2940    0.2950   22.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1050   -1.1040   21.8190 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4160   -1.4200   22.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  4  2  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  7  8  1  0
  8  9  1  6
  9 10  1  0
 10 11  2  0
 11 12  1  0
  9 13  2  0
 12 13  1  0
M  END