matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mpro_mols/Mpro-x10248.mol

Summary

Maintainability
Test Coverage
x10248
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.0830   -0.8120   20.7360 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9240   -0.1790   23.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8830    0.4820   21.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5010   -0.6480   23.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5960    0.6010   17.3930 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0830   -1.4940   22.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7560   -1.8490   22.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8010   -1.3430   23.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3460   -1.4130   22.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1460   -0.4890   21.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5650   -0.0210   19.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0960   -0.0880   18.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5270    1.3690   17.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9430    1.5040   18.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4760    0.8250   19.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440    1.0600   21.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2250   -0.5470   24.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5560   -0.2050   24.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  1 10  1  0
  3 10  2  0
  9 10  1  0
  1 11  1  0
  5 12  2  0
 11 12  1  0
  5 13  1  0
 13 14  2  0
 11 15  2  0
 14 15  1  0
 15 16  1  0
  8 17  1  0
  4 18  1  0
 17 18  2  0
M  END