matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2779.mol

Summary

Maintainability
Test Coverage
x2779
     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.9540   -2.5860   20.8710 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1690   -2.5020   18.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8870   -4.1120   19.6130 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5820   -3.1150   19.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8220   -2.3410   23.0140 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6830   -3.2440   22.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9990   -3.5580   22.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0820   -2.6510   23.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0700   -1.5230   23.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1450   -1.3160   22.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8360   -0.1130   23.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3190    0.5430   24.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0710   -1.7310   21.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640   -1.3740   21.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9840   -0.2630   24.8170 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7940   -3.2440   18.1580 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  2  4  1  0
  3  4  2  0
  1  6  1  0
  5  7  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  5 13  1  0
  1 14  1  0
 13 14  1  0
  9 15  1  0
 12 15  1  0
  2 16  1  0
M  END