matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10417.mol

Summary

Maintainability
Test Coverage
x10417
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.7640    0.5240   17.5680 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3280    1.0370   21.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5080    0.7150   20.9600 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7990    0.7920   20.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6510   -0.5900   20.9640 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1430    1.3750   19.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6510    1.2200   17.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3890   -0.0640   18.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9520    0.0400   19.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -0.2450   21.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4070   -1.1210   22.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8740   -0.8550   22.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2850    0.0090   23.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6280    0.3080   23.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5810   -0.2390   23.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1540   -1.1030   22.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8340   -1.4300   21.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0840   -1.6780   21.3000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  6  2  0
  1  7  2  0
  6  7  1  0
  1  8  1  0
  4  9  1  0
  5  9  1  0
  8  9  2  0
  3 10  2  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 12 17  1  0
 16 17  2  0
 16 18  1  0
M  END