matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0104.mol

Summary

Maintainability
Test Coverage
x0104
     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.0040    6.1980   22.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2850    5.8990   23.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3240    6.0920   24.5690 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4370    5.3670   22.6980 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6780    5.0360   23.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0570    3.6080   22.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0700    2.5240   23.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9450    2.7020   24.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3550    1.5250   24.3920 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0490    0.5500   23.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8220   -0.8470   23.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7050   -1.6260   22.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8090   -1.0330   22.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0310    0.3370   22.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1330    1.1400   23.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6780   -1.7900   21.5250 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7 15  1  0
 10 15  2  0
 14 15  1  0
 13 16  1  0
M  END