matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/mac-x0277.mol

Summary

Maintainability
Test Coverage
mac-x0277
     RDKit          3D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.3100   18.2690   -5.1430 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8790   15.6620   -5.3600 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1970   11.3190   -3.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710   12.4060   -2.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   12.9810   -1.8350 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2510   13.0440   -4.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6570   14.3590   -4.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970   15.5590   -4.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040   16.7110   -4.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   16.7490   -4.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2640   15.6520   -4.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830   14.4600   -4.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  1 10  1  0
  9 10  2  0
  2 11  1  0
 10 11  1  0
  7 12  1  0
 11 12  2  0
M  END