matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1386.mol

Summary

Maintainability
Test Coverage
x1386
     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.9900   -2.3420   20.7990 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2630   -2.4590   18.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7620   -3.7960   19.6140 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6090   -2.9100   19.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7120   -2.0990   23.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5720   -2.8380   22.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7840   -3.2240   22.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8850   -2.5060   23.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9640   -1.4530   23.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0660   -1.3820   22.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7740   -0.2360   23.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9960   -0.3680   24.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0970   -1.6070   21.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8870   -1.2010   20.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1360    0.7860   24.2190 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8620   -3.2790   18.1330 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  1  0
 10 11  2  0
  9 12  2  0
  5 13  1  0
  1 14  1  0
 13 14  1  0
 11 15  1  0
 12 15  1  0
  2 16  1  0
M  END