matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0820.mol

Summary

Maintainability
Test Coverage
x0820
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.1460   -4.7690   21.6010 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4840   -2.4390   22.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6100   -5.1640   20.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4170   -3.9160   22.7690 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4890   -4.4420   20.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8570   -3.2680   19.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250   -4.1620   23.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0970   -4.3810   23.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1480   -4.5960   24.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5310   -4.6000   25.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8810   -4.3850   26.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2790   -4.3920   27.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5740   -4.1900   28.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5440   -3.9640   27.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1970   -3.9470   25.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540   -4.1600   25.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4260   -3.5100   18.6890 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  4  2  1  6
  1  5  1  0
  3  5  2  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  7 16  1  0
 11 16  2  0
 15 16  1  0
  6 17  1  0
M  END