24
0 of /lustre/lwork/pjhsu/mono_saccharides/no_sodiated/alpha-galactose_PJ_HS/tsca_xyz/4C1.xyz zpe= -687.207624 src= /lustre/lwork/pjhsu/mono_saccharides/no_sodiated/alpha-galactose_PJ_HS/join.xyz moment= 2.396956 0.696620 -0.193130 3.539789 2.579717 1.000257 -0.539574 3.232193 3.895049 1.790009 -0.126014 2.271117 3.795629 1.703309 -0.311756 2.260953 top= 4C1
O 0.805226 -1.227061 -1.742950
O  -1.486673 -2.133808 -0.560991
O  -2.686267 0.385866 0.234106
O  -0.627000 1.395792 1.708605
O  1.459748 -0.153036 0.178010
O  2.085243 2.017425 1.852242
C  0.696387 -1.216253 -0.332867
C  -0.771122 -1.094364 0.104467
C  -1.350057 0.280072 -0.248936
C  -0.453015 1.394867 0.293131
C  0.993238 1.158981 -0.172425
C  2.006643 2.127605 0.426110
H  0.078049 -1.772262 -2.074485
H  -2.428514 -1.963042 -0.435552
H  -2.627158 0.619155 1.171058
H  0.171071 1.763104 2.119998
H  2.430940 1.138820 2.051997
H  1.146369 -2.119583 0.091048
H  -0.814075 -1.232425 1.190475
H  -1.415263 0.366935 -1.336393
H  -0.788884 2.356994 -0.120676
H  1.014469 1.271975 -1.263580
H  2.987753 1.949111 -0.024975
H  1.710358 3.156772 0.213903
