24
0 of /lustre/lwork/pjhsu/mono_saccharides/no_sodiated/beta-mannose_PJ_HS/tsca_xyz/4C1.xyz zpe= -687.20527 src= /lustre/lwork/pjhsu/mono_saccharides/no_sodiated/beta-mannose_PJ_HS/4C1_NaO@4-6_0.xyz moment= 2.414112 0.687543 -0.372406 3.800780 2.589233 1.022610 -0.381207 3.416850 3.933354 1.567248 -0.691413 3.002427 3.695929 1.520557 -0.465177 2.867991 top= 4C1
O -0.998535 2.748915 1.006482
O  1.228691 1.304078 1.668520
O  2.729643 0.009363 -0.234334
O  0.790318 -1.960645 -1.097614
O  -1.354903 0.588655 0.385967
O  -1.868032 -1.975528 1.383437
C  -0.599877 1.753061 0.106458
C  0.904825 1.541024 0.305481
C  1.362283 0.316215 -0.485542
C  0.473323 -0.900689 -0.202691
C  -1.004219 -0.554120 -0.414574
C  -1.957982 -1.669190 0.000348
H  -1.961605 2.795000 1.006763
H  0.744100 1.941687 2.206970
H  2.870306 0.094078 0.718335
H  1.742710 -2.105048 -1.043916
H  -2.012578 -1.156867 1.871820
H  -0.791308 2.060710 -0.935488
H  1.428689 2.434711 -0.059302
H  1.300832 0.538978 -1.556122
H  0.610328 -1.218410 0.836915
H  -1.168296 -0.329150 -1.479661
H  -2.980472 -1.374861 -0.270442
H  -1.699688 -2.577960 -0.543580
