matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-6m2n.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
   11.3190   -3.4180   24.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000   -3.7820   25.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3260   -1.7880   23.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2010   -0.5520   22.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1620   -0.2130   21.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1830   -1.1600   20.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6460   -3.6500   21.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0450    0.9350   21.4040 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2630   -1.3050   21.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4510   -2.5640   22.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5980   -3.4800   20.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7830   -4.5180   20.6400 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3710   -2.2330   20.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400   -2.0640   19.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9530    0.0350   20.0450 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4760   -2.7960   22.9960 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3710   -2.1810   24.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4300   -1.3220   24.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4060   -1.6980   25.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410   -2.9240   26.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  4  3  2  0
  5  4  1  0
  8  5  2  0
  9  6  2  0
  9  5  1  0
 10  9  1  0
 10  7  2  0
 11  7  1  0
 12 11  1  0
 13 11  2  0
 13  6  1  0
 14 13  1  0
 15  6  1  0
 16 10  1  0
 16  3  1  0
 17  3  1  0
 17  1  1  0
 18 17  2  0
 19 18  1  0
 20 19  2  0
 20  2  1  0
M  END