matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1187.mol

Summary

Maintainability
Test Coverage
x1187
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
    7.6330   -0.6130   -4.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6730   -1.2520   -5.7710 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1180   -2.4410   -5.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2990   -2.6690   -6.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3860   -1.5490   -7.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -1.3170   -8.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6410   -0.2310   -9.2530 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8890   -2.4060   -9.4580 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660   -2.1530  -10.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0440   -2.5570  -11.8780 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3170   -2.2010  -13.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7640   -3.0590  -14.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2760   -4.2950  -13.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -3.8490  -11.8600 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2110   -0.7120   -6.9240 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
 10  9  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  0
 10 14  1  0
 13 14  1  0
  2 15  1  0
  5 15  2  0
M  END