1-3 propanediol CH2OHCH2CH2OH I 13C4 Thu Oct 06 09:58:04 2011 12 34 11 0 0.0000E+000 3.0000E+001 1.0000E+000 1.0000000000 a 1 2 0 25 0 1 1 1 0 -1 10000 7.556793307416733E+003 1.00000000E+018 10011 7.556793651983158E+003 1.00000000E+018 20000 3.887852947580301E+003 1.00000000E+018 20011 3.887851906861355E+003 1.00000000E+018 30000 2.836456212633910E+003 1.00000000E+018 30011 2.836450908950691E+003 1.00000000E+018 299 -2.313785332572890E-003 1.00000000E+018 1199 -1.434204385799915E-004 1.00000000E-018 2099 -1.891508558686728E-003 1.00000000E+018 40199 -7.467143774223871E-004 1.00000000E+018 41099 -3.914522353573728E-003 1.00000000E+018 11 5.384785106518709E+000 1.00000000E+019