TO CHECK :
==========

1) biosequence seems to be a single value attribute of the SMILES. I
   modify the cardinality in the output, so it appears in Smiles.tab

2) When a SMILES has a Biosequence, its normal attributes (Parent of
   ..., Parent Formula, ...) are transferred to this biosequence. I
   reallocate the attributes to the parent SMILES.

3) Parent Avg molecular weight is NOT a single-value attribute e.g.:
   SMILES CCCCCCCCCCCCOS(=O)(=O)O

4) Isomer is NOT a single-value attribute, but there is only one entry
   with 2 values ! Is this an error ?

5) There are BRENDA names with molecular formula C8H7O3 and whose
   Parent SMILES 'Parent Formula' is C8H8O3

	BRENDA name	RMANDELATE
		Remark	Structure from ligand, manual_entry
		Isomer	O[C@@H](C(=O)O)c1ccccc1
		Local Name	(R)-Mandelate
		Local Name	(R)-mandelate
		Avg molecular weight	152.15
		Mol Formula	C8H8O3
		Avg molecular weight	151.14
		Mol Formula	C8H7O3

6) SMILES have no name, I suppress the table SMILES_names.tab from the
   output

7) SMILES Parent Formula is NOT single-value. I modify the export
   format accordingly.

	SMILES	*COCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C*
		Remark	Parent of 2-acyl-1-alkyl-sn-glycero-3-phosphocholine
		Remark	Parent of 1-alkyl-2-acylglycero-3-phosphocholine
		Parent Avg molecular weight	298.25
		Parent Formula	C10H21NO7P*2
		Parent Avg molecular weight	312.28
		Parent Formula	C11H23NO7P*2
