matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mpro_mols/Mpro-x10598.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
   13.1230   -1.6730   22.0220 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.9470   -1.6440   23.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7600   -2.4250   24.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6080   -2.3560   25.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6720   -1.5030   26.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8620   -0.7310   25.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9720   -0.8040   23.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0240   -0.0080   22.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8780   -0.8460   22.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0290   -0.0370   21.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3730    1.0780   21.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8960   -0.6360   21.0110 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0520   -0.0640   20.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8590    0.5930   20.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4700    0.7680   21.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810   -0.0980   18.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6280    0.4440   17.7000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4900    1.0400   18.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750    1.1360   19.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  6  2  0
  7  2  1  0
  8  7  1  0
  9  8  1  0
 10  9  1  0
 11 10  2  0
 12 10  1  0
 13 12  1  0
 14 13  2  0
 15 14  1  0
 16 13  1  0
 17 16  2  0
 18 17  1  0
 19 18  2  0
 19 14  1  0
M  END