WriteToMDLMolFile

The method WriteToMDLMolFile stores the current structure together with some additional parameters in the MDL MOL-format (see [D1] and [M1] for details). The output file TFile has already to be open when calling the method WriteToMDLMolFile. The parameter User should contain the initials of the user who creates the structure file (maximum 2 characters, all others are discarded), the parameter ProgName contains the name of creating program, the parameter RegNum contains the internal registry number, and the parameter comment may be any single line comment (max. 80 characters).