matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mpro_mols/Mpro-x10565.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    9.8110    0.3790   24.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4140    0.4510   17.3770 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0580   -0.6150   23.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2850    0.7920   19.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1950    0.4090   23.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    1.0390   21.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -0.6130   23.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7800    1.4530   18.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0590   -0.3260   21.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9430   -0.7340   20.8260 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7890    0.5730   21.0320 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3740   -0.0690   19.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3190   -1.0230   22.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8960   -0.2070   18.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0590    0.8940   24.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8200   -1.1210   22.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3710    1.2640   17.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7560   -1.5080   22.1910 I   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0
  6  4  1  0
  7  1  2  0
  8  4  1  0
 10  9  1  0
 11  9  2  0
 12  4  2  0
 12 10  1  0
 13  9  1  0
 13  7  1  0
 14 12  1  0
 14  2  2  0
 15  1  1  0
 15  5  2  0
 16  7  1  0
 16  3  2  0
 17  8  2  0
 17  2  1  0
 18  3  1  0
M  END