matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11562.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
    8.9020    0.6480   20.8970 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.3610   21.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0520   -0.6630   20.7300 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4090    0.0370   19.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2950    0.8410   19.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7800    1.0300   21.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250    1.5300   18.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760    1.4170   17.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3470    0.6610   17.3630 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -0.0150   18.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8030   -1.3740   22.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1200   -0.8970   22.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3160   -1.3800   22.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5110   -0.8700   22.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9970   -1.5480   22.1030 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.5590    0.1080   23.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3760    0.5710   24.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1640    0.0870   23.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    0.6260   24.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4930    0.5100   25.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0050    0.7880   25.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190   -0.3050   24.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440    0.0200   25.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  5  1  0
  8  7  2  0
  9  8  1  0
 10  9  2  0
 10  4  1  0
 11  2  1  0
 12 11  1  0
 13 12  2  0
 14 13  1  0
 15 14  1  0
 16 14  2  0
 17 16  1  0
 18 12  1  0
 18 17  2  0
 19 18  1  0
 20 19  1  0
 21 20  1  0
 22 21  1  0
 23 22  1  0
M  END