1-3 propanediol CH2OHCH2CH2OH I Thu Oct 06 09:48:30 2011 12 106 11 0 0.0000E+000 3.0000E+010 1.0000E+000 1.0000000000 a 1 2 0 25 0 1 1 1 0 -1 10000 7.701234569966829E+003 1.00000000E+018 10011 7.701237525806711E+003 1.00000000E+018 20000 3.891295498273702E+003 1.00000000E+018 20011 3.891295555149819E+003 1.00000000E+018 30000 2.854557270404878E+003 1.00000000E+018 30011 2.854550547171364E+003 1.00000000E+018 299 -2.373354505135489E-003 1.00000000E+018 1199 -1.434204385799915E-004 1.00000000E+018 2099 -2.106795770284952E-003 1.00000000E+018 40199 -7.516603435955961E-004 1.00000000E+018 41099 -4.040694953608232E-003 1.00000000E+018 11 5.420859638442152E+000 1.00000000E+019