matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11001.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.9670   -5.3200   19.7390 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6700   -4.5060   20.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2770   -3.2660   19.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2870   -2.4990   19.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580   -2.5680   20.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4910   -1.3390   21.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9720   -4.5170   21.6380 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6690   -3.3820   22.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1050   -2.9980   23.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7300   -1.7750   23.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9050   -0.9520   22.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250    0.6440   22.5460 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8790    0.4550   23.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6080    1.2960   21.2700 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6920    1.5030   23.5270 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6760   -3.5410   18.6780 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  3  4  1  6
  5  3  1  0
  6  5  2  0
  7  2  1  0
  8  7  1  0
  8  5  1  0
  9  8  2  0
 10  9  1  0
 11  6  1  0
 11 10  2  0
 12 11  1  0
 13 12  2  0
 14 12  2  0
 12 15  1  0
  3 16  1  0
M  END