matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11431.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    8.8830    0.7640   21.0330 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3880   -0.3130   21.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8790   -1.1010   22.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3330   -0.8240   22.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6910    0.0680   23.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0140    0.4430   24.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0030   -0.0780   23.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3320   -1.3820   22.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6440   -0.9970   22.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8700   -1.6620   21.2090 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3390   -0.8610   20.6960 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5630   -0.1890   19.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4850    0.6400   20.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0150    0.7110   21.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640    1.8690   21.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0580    2.0630   20.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    2.3750   19.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8490    1.3700   19.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2960    1.2020   17.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100    0.4060   17.4240 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300   -0.2760   18.3900 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
  7  6  2  0
  8  4  1  0
  9  8  2  0
  9  7  1  0
 10  9  1  0
 11  2  1  0
 12 11  1  0
 13 12  1  0
 14 13  1  0
 15 14  1  0
 16 15  1  0
 17 16  1  0
 18 17  1  0
 18 13  2  0
 19 18  1  0
 20 19  2  0
 21 20  1  0
 21 12  2  0
M  END