matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1402.mol

Summary

Maintainability
Test Coverage
x1402
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.4540   -5.1920   21.7100 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6580   -3.6010   20.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6400   -4.7230   19.6730 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8130   -1.3250   25.6020 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5130   -4.5640   20.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5670   -5.3770   24.3560 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -6.4010   25.9970 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -3.8720   25.7460 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4010   -6.1400   22.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -5.1960   26.7480 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6290   -5.6160   23.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6350   -4.4260   24.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3840   -4.9660   22.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0270   -3.8490   25.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5270   -2.5950   26.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5530   -1.5950   25.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980   -2.1570   25.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9560   -5.3100   25.8660 S   0  0  1  0  0  0  0  0  0  0  0  0
    8.2150   -3.4540   18.5660 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  2  5  1  0
  3  5  2  0
  1  9  1  0
  6 11  1  0
  9 11  1  0
  6 12  1  0
  1 13  1  0
 12 13  1  0
  8 14  1  0
 14 15  2  0
 15 16  1  0
  4 17  1  0
  8 17  1  0
 16 17  2  0
  6 18  1  0
  7 18  2  0
 10 18  2  0
 18 14  1  6
  2 19  1  0
M  END