matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0752.mol

Summary

Maintainability
Test Coverage
x0752
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
    7.5200   -4.6140   21.2140 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1170   -3.0330   19.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7520   -4.9040   19.8470 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7470   -4.2660   20.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9190   -3.0320   25.1940 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0490   -5.4690   22.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050   -5.2220   24.5010 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9720   -4.7790   23.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1410   -3.4690   23.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650   -2.7820   24.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0240   -3.4710   24.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9800   -4.1080   25.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390   -4.7710   24.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7820   -5.4510   23.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5660   -3.3190   18.3440 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  6  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  5 11  1  0
 10 11  2  0
  5 12  1  0
  7 12  1  0
  7 13  1  0
 11 13  1  0
  8 14  1  0
 13 14  2  0
  2 15  1  0
M  END