matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3324.mol

Summary

Maintainability
Test Coverage
x3324
     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.7340   -2.4850   21.5960 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7700   -2.8420   23.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5020   -3.4820   23.9120 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9360   -1.7190   21.3400 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9580   -1.8220   22.8780 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9960   -0.6520   20.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2290   -1.8580   20.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9930   -2.6840   19.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3320   -1.1850   22.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5510   -0.0820   23.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7830    0.5540   23.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8230    0.0820   23.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6100   -1.0420   22.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3850   -1.6760   22.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2630   -4.3180   19.5720 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  1  5  1  0
  5  2  1  1
  1  7  1  0
  6  7  2  0
  7  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  4 13  1  0
 12 13  1  0
  9 14  1  0
 13 14  2  0
  8 15  1  0
M  END