matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/diamond-x0380_B.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.3120   29.8100  -14.7330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3180   29.2650  -11.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2220   32.0670  -14.9870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9650   28.5870  -10.5230 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.5900   29.3620  -12.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6200   31.5870  -17.2430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8460   29.1680  -12.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0210   29.3150  -12.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9630   29.6210  -14.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7380   29.7920  -14.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5590   29.6690  -14.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7540   30.9530  -15.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4700   30.7800  -16.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0
  1 12  1  0
 11  5  2  0
 11 10  1  0
 12  3  2  0
 12 13  1  0
  2  5  1  0
  5  7  1  0
  4  7  1  0
  7  8  2  0
  6 13  1  0
  8  9  1  0
  9 10  2  0
M  END