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4.2.1 The Header Block

The MDL header block identifies the molfile with the molecule name, user's name, program, date and other miscellaneous information and comments.

The first line is unformatted and specifies the molecule name. This line may not contain any of the reserved tags used by MDL, including $$$$, $MDL, $RXN or $RDFILE. The molecule name is optional and may be left blank.

The second line contains the user's first and last initials (I), program name (P), date/time (M/D/Y,H:m), and dimensionality code (d). All of these fields are currently ignored by OpenEye's mdl2sma.

This line has the format: 

Template:  IIPPPPPPPPMMDDYYHHmmdD
FORTRAN:   <><--A8--><---A10--><>
Example:     -OEChem-09159816172D

The third line is unformatted and used for comments. If no comment is entered, a blank line must be present.

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Documentation released on 16 February 2006.