Database resources of the National Center for Biotechnology Information.

Assignments, 13C transition lists, 1H transition lists by Francisca Jofre

Updated the InChI string to match PubChem

Reset sweep widths to those found in parameter files

Updated chem comp Paramagnetic and Aromatic

Moved Dept 135 phase val info from _Peak_general_char to _Peak_char

Brought up to date with latest Dictionary

Set Assembly.Name to match Chem_comp.name

Added PubChem SID 85165322 to database loop

Set all _Chem_comp_SMILES Types to lower case

removed existing assignments, existing spectral peaks

Updating assignments with fixed assignment file

Remediated Experiment_file loop if present and standardized mol and png file tags.

InChI numbering updated according to ALATIS

F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax