matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11339.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
   13.5090   -0.5230   21.3410 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6350   -1.3060   22.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4360   -0.4690   22.4630 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5010   -0.8360   23.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0870   -1.0740   22.1350 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1570   -0.0920   21.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    1.0500   21.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9550   -0.6070   21.1050 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0470   -0.0450   20.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8990    0.6270   20.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5860    0.7660   22.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2660   -0.1310   18.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4420    0.3940   17.8880 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3560    1.0310   18.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0510    1.1690   19.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  1
  4  3  1  0
  5  4  1  0
  5  3  1  0
  5  6  1  6
  7  6  2  0
  8  6  1  0
  9  8  1  0
 10  9  2  0
 11 10  1  0
 12  9  1  0
 13 12  2  0
 14 13  1  0
 15 14  2  0
 15 10  1  0
M  END