matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0887.mol

Summary

Maintainability
Test Coverage
x0887
     RDKit          3D

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.5750    8.1140   10.7840 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9420    9.9780    9.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020    9.2770   10.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3060    9.4780    9.1150 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2810    9.3640   10.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4810    8.0620   11.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1120    9.1990   12.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7900   10.4480   11.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8720   10.5440   10.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8400   10.3960    8.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3430    9.8210    6.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    8.5040    7.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1280    8.1250    8.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  4  2  1  1
  1  5  2  0
  4  5  1  0
  1  6  1  0
  6  7  2  0
  7  8  1  0
  5  9  1  0
  8  9  2  0
  4 10  1  0
 10 11  1  0
 11 12  1  0
  4 13  1  0
 12 13  1  0
M  END