matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0705.mol

Summary

Maintainability
Test Coverage
x0705
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.6430   -2.1210   24.1410 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960   -2.4740   27.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4890   -1.8190   26.2090 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800   -2.3640   27.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2480   -3.3680   21.6840 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3270   -3.7360   19.6550 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -3.1560   27.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8920   -3.0540   27.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1550   -2.1420   26.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1240   -1.3500   25.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8530   -1.4620   26.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5240   -2.0200   25.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8470   -1.7290   23.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3360   -2.8590   22.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1080   -3.8200   22.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5840   -2.6570   23.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800   -3.3830   20.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5610   -2.9140   19.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250   -3.1150   17.9080 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  4 11  1  0
 10 11  2  0
  1 12  1  0
  3 12  2  0
  9 12  1  0
  1 13  1  0
  5 14  1  0
 13 14  1  0
  5 15  1  0
  1 16  1  0
 15 16  1  0
  5 17  1  0
  6 17  2  0
 17 18  1  0
 18 19  1  0
M  END