../ Thiamin_3668.g03 13-Jul-2020 21:56 1057 Thiamin_3668.g03.out 13-Jul-2020 21:56 2M Thiamin_3668.g03.shifts 13-Jul-2020 21:56 401 Thiamin_3668.mol 13-Jul-2020 21:56 3363 Thiamin_3668_opt.pdb 13-Jul-2020 21:56 3576