File: badval_smiles.py.out

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*** Load molecule with bad valence atoms from MOL file *** 

  -INDIGO-01000000002D

  6  4  0  0  0  0  0  0  0  0999 V2000
    5.7670   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6330   -5.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4990   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9340  -11.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000  -11.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6660  -11.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  CHG  2   2   3   5  -4
M  END

*** SMILES for that molecule *** 
C[N+3]C.C[N-4]C
*** Load molecule with bad valence atoms from SMILES *** 

  -INDIGO-01000000002D

  6  4  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  CHG  2   2   3   5  -4
M  END