matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/mac-x0398.mol

Summary

Maintainability
Test Coverage
mac-x0398
     RDKit          3D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -6.3500   14.8540    2.3020 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5810   14.9220    1.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1780   14.8490    1.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4760   14.9350   -0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1290   15.1000   -1.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830   15.1620   -2.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0570   15.2410   -3.6860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1230   15.1090   -2.7660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5110   15.1710   -1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1870   15.3280   -2.5160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2360   15.0950   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  2 11  1  0
  9 11  2  0
M  END