matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11223.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
   24.8570  -27.9390   20.0950 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   24.3490  -27.2070   18.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7430  -27.7820   17.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3510  -27.2130   16.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5700  -26.0690   16.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1130  -25.2970   15.1880 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4060  -24.2260   15.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8490  -23.1530   14.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8690  -23.1540   13.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5580  -26.0720   18.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1550  -25.4860   17.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3900  -24.3020   17.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7530  -23.2930   17.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2060  -22.2230   17.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2660  -22.1170   15.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7380  -20.8620   15.0550 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.8860  -20.0110   15.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8450  -20.0200   14.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8070  -19.6520   13.2890 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8130  -19.7210   15.2690 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  6  1  0
  8  7  1  0
  9  8  1  0
 10  2  1  0
 11  5  1  0
 11 10  2  0
 12  7  2  0
 12 11  1  0
 13 12  1  0
 14 13  2  0
 15 14  1  0
 15  8  2  0
 16 15  1  0
 16 17  1  1
 18 16  1  0
 19 18  1  0
 20 18  2  0
M  END