matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1380.mol

Summary

Maintainability
Test Coverage
x1380
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.8830   -4.2940   21.3890 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9650   -3.0530   19.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5940   -4.9370   19.6470 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250   -4.1710   20.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270   -3.4900   26.6980 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8010   -2.7800   25.3070 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8060   -3.3890   22.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1240   -2.7890   23.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5900   -3.8930   24.2230 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6790   -4.8190   23.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4160   -5.3890   22.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8840   -3.3440   25.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8230   -3.8440   26.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9040   -5.0630   27.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1850   -4.7920   29.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7440   -4.4020   28.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6480   -3.2440   27.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5600   -3.4960   18.5160 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  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  1 11  1  0
 10 11  1  0
  5 12  1  0
  6 12  2  0
  9 12  1  1
  5 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
  5 17  1  0
 16 17  1  0
  2 18  1  0
M  END