matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11041.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.2140   -0.4880   20.9820 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2720    1.2860   17.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3900   -0.0510   21.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4480   -1.1050   21.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0340   -0.8520   22.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1940    0.1960   23.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2430    0.8130   23.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9040    0.4700   23.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9850    0.0320   18.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3620    0.9590   20.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5100    0.2000   19.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7340    1.4980   19.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    1.2260   21.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6420   -1.7580   21.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3810    0.5700   17.5800 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9400    0.9620   21.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7770   -0.7660   22.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4940   -0.4910   22.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9660   -1.6640   21.2090 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0
  5  3  1  0
  7  6  2  0
  8  7  1  0
 11 10  2  0
 11  9  1  0
 11  1  1  0
 12 10  1  0
 12  2  2  0
 13 10  1  0
 14  1  1  0
 15  2  1  0
 15  9  2  0
 16  3  2  0
 17  6  1  0
 17  4  2  0
 18  5  1  0
 18  8  2  0
 18  4  1  0
 19 17  1  0
M  END