matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10604.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.8250   -0.0710   17.7640 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0980    0.5150   18.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1470    1.4350   18.3170 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5910    1.9270   19.4790 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2080    1.2920   20.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1240    0.4220   19.9170 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9240   -0.4460   20.6400 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0870   -0.0080   21.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6650    1.0100   20.7900 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6230   -0.8430   22.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0510   -0.4840   22.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1040   -1.2110   22.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4040   -0.7930   22.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7070   -1.6970   21.5940 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3400    0.6210   23.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6520    1.0250   23.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6970    0.3230   23.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  6  2  1  0
  7  6  1  0
  8  7  1  0
  9  8  2  0
 10  8  1  0
 11 10  1  0
 12 11  2  0
 13 12  1  0
 14 13  1  0
 15 11  1  0
 16 15  2  0
 17 16  1  0
 17 13  2  0
M  END