matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1086.mol

Summary

Maintainability
Test Coverage
x1086
     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.8050    2.6510   -6.5730 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830   -2.0690   -8.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690    2.2590   -5.7840 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8290   -1.8080   -8.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3740    0.6800   -5.1870 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7010   -2.8770   -8.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0740   -2.6820   -8.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6030   -1.4420   -7.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7280   -0.3840   -7.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3410   -0.5390   -7.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4790    0.6920   -7.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9040   -3.6890   -8.5080 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7350    1.5320   -6.1210 S   0  0  2  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  4 10  1  0
  9 10  2  0
 10 11  1  0
  7 12  1  0
 13  1  1  6
  3 13  2  0
  5 13  2  0
 11 13  1  0
M  END