matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mpro_mols/Mpro-x1002.mol

Summary

Maintainability
Test Coverage
x1002
     RDKit          3D

  7  7  0  0  0  0  0  0  0  0999 V2000
   12.9700  -27.3260    3.8790 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8590  -26.6240    3.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7500  -27.3320    3.1610 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8030  -25.2170    3.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9640  -24.5120    3.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1210  -25.1970    4.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0750  -26.5920    4.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  1  7  1  0
  6  7  2  0
M  END