matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0769.mol

Summary

Maintainability
Test Coverage
x0769
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.4990   -5.3150   24.3460 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2290   -2.5750   26.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8050   -5.0820   26.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060   -1.4730   26.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -5.0180   21.7570 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9300   -6.4340   25.8920 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380   -1.6520   25.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8260   -4.6150   19.6580 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.9110   25.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3260   -4.0180   25.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7020   -3.8600   25.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4580   -4.2390   24.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3570   -4.6790   22.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5890   -6.0780   22.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6770   -5.6550   23.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6510   -4.4320   20.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8290   -3.5280   20.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5650   -2.3880   26.1300 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7630   -5.2740   25.8110 S   0  0  2  0  0  0  0  0  0  0  0  0
    8.3210   -3.4010   18.5590 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0
  4  7  1  0
  7  9  2  0
  9 10  1  0
  2 11  1  0
 10 11  2  0
  1 12  1  0
  5 13  1  0
 12 13  1  0
  5 14  1  0
  1 15  1  0
 14 15  1  0
  5 16  1  0
  8 16  2  0
 16 17  1  0
  2 18  1  0
  1 19  1  0
  3 19  2  0
  6 19  2  0
 19 11  1  6
 17 20  1  0
M  END