matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mpro_mols/Mpro-x10679.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.4540    0.6380   17.3960 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5470   -0.6250   23.3930 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250    0.7620   19.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8570    0.5670   23.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3060    0.1570   24.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7630    1.4420   18.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1610   -0.3820   21.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4590   -0.0260   19.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9830   -0.0520   18.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4940    0.2980   24.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9900   -0.8980   22.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4520    0.7320   24.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6040   -0.0210   22.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6360   -1.1760   22.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8060    0.9720   21.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0480   -0.7630   20.7560 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8200    0.6170   21.1170 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5240   -1.2730   22.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3550    1.3600   17.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8990   -0.5640   23.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9560   -1.7120   20.8460 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  5  2  1  0
  6  3  1  0
  8  3  2  0
  9  8  1  0
  9  1  2  0
 10  4  2  0
 12  5  2  0
 12 10  1  0
 13 11  2  0
 13  4  1  0
 14 11  1  0
 15  3  1  0
 16  8  1  0
 16  7  1  0
 17  7  2  0
 18  7  1  0
 18  2  1  0
 19  6  2  0
 19  1  1  0
 20  2  1  0
 20 14  2  0
 20 10  1  0
 21 11  1  0
M  END