matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mpro_mols/Mpro-x1425.mol

Summary

Maintainability
Test Coverage
x1425
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.5900   -3.6820   23.7200 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520   -2.3690   28.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7730   -2.2450   28.2860 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4560   -2.6110   27.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7380   -4.2900   21.2500 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6340   -4.9840   19.4120 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -3.5650   26.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630   -3.9120   25.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990   -3.3300   24.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3890   -2.3660   25.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6790   -2.0130   26.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3120   -4.9820   23.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -5.4240   22.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4550   -3.3250   22.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5090   -2.7170   23.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3840   -4.1800   19.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9380   -3.0320   19.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5640   -3.3920   18.4150 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  1  0
  4  7  2  0
  7  8  1  0
  1  9  1  0
  8  9  2  0
  9 10  1  0
  4 11  1  0
 10 11  2  0
  1 12  1  0
  5 13  1  0
 12 13  1  0
  5 14  1  0
  1 15  1  0
 14 15  1  0
  5 16  1  0
  6 16  2  0
 16 17  1  0
 17 18  1  0
M  END