matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mpro_mols/Mpro-x2119.mol

Summary

Maintainability
Test Coverage
x2119
     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
    6.0410   -5.0990   19.7050 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -4.2150   20.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5020   -3.3130   21.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3090   -3.3070   21.7330 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3740   -2.2970   22.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2970   -2.3580   21.6680 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5870   -1.7110   22.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1930   -3.6460   18.8550 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  3  6  1  0
  5  7  2  0
  6  7  1  0
  2  8  1  0
M  END