matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0734.mol

Summary

Maintainability
Test Coverage
x0734
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.1900   -4.8210   26.1240 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6470   -4.9430   26.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5620   -5.7020   25.5580 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1680   -5.3380   27.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9760   -4.2750   23.8830 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6590   -3.8650   26.6640 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5340   -5.4730   27.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8490   -4.1790   21.0550 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3870   -4.5490   19.3770 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3830   -5.2170   26.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -4.8200   25.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5020   -4.6760   25.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4010   -3.0620   23.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580   -3.3870   21.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4620   -5.3910   21.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9550   -5.0310   23.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070   -3.9000   19.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9210   -2.7960   19.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5330   -3.3850   18.4660 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  2  0
  2  4  2  0
  1  6  1  0
  4  7  1  0
  7 10  2  0
 10 11  1  0
  2 12  1  0
  5 12  1  0
 11 12  2  0
  5 13  1  0
  8 14  1  0
 13 14  1  0
  8 15  1  0
  5 16  1  0
 15 16  1  0
  8 17  1  0
  9 17  2  0
 17 18  1  0
 18 19  1  0
M  CHG  2   1   1   6  -1
M  END