id  82622821
molid  0
isotopid  0
pressure  1
temperature  278.16
numpoints  98235
point_spacing  0.0602646736364192
start_freq  579.988077
end_freq  6500.028027
filename  Diacetyl_23BUTDI_5T.sorted.TXT
comments  PNNL Spectra from Jeremy
chemical_symbol  C4H6O2
spectrum  82622822
id  82622821

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