matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1493.mol

Summary

Maintainability
Test Coverage
x1493
     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.1630   -5.1470   24.2780 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540   -6.1540   26.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1430   -5.5770   26.2480 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1390   -5.6030   25.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8390   -4.9370   21.5440 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9270   -4.2600   19.5840 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1980   -5.5330   23.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9010   -5.9680   21.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8270   -4.6220   22.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1300   -4.1490   23.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8680   -4.2880   20.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1660   -3.5950   20.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4850   -3.2950   18.3180 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
  5  8  1  0
  7  8  1  0
  5  9  1  0
  1 10  1  0
  9 10  1  0
  5 11  1  0
  6 11  2  0
 11 12  1  0
 12 13  1  0
M  END