matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/mac-x0441.mol

Summary

Maintainability
Test Coverage
mac-x0441
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.8120   10.7850   -3.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7860   12.0310   -3.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110   12.6930   -2.4650 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790   12.7220   -4.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1860   11.8180   -5.8270 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   11.8200   -6.8370 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830   10.9520   -7.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4600   10.2880   -7.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2860    9.1600   -7.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3330    8.6900   -6.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9790    9.8210   -6.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9220   10.5250   -5.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7350   10.9230   -6.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4210   10.7220   -8.9810 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0120    9.5400   -8.9850 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5460   10.7820   -9.9850 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3230   11.7150   -9.2220 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  5 13  1  0
  8 13  2  0
 12 13  1  0
  7 14  1  0
 14 15  1  1
 14 16  1  0
 14 17  1  0
M  END