value energy(kcal/mol) 1.32986 -49861.615 1.34986 -49865.956 1.36986 -49869.627 1.38986 -49872.688 1.4098600000000001 -49875.195 1.4298600000000001 -49877.198 1.4498600000000001 -49878.744 1.4698600000000002 -49879.875 1.4898600000000002 -49880.630 1.5098600000000002 -49881.044 1.5298600000000002 -49881.149 1.5498600000000002 -49880.975 1.5698600000000003 -49880.549 1.5898600000000003 -49879.895 1.6098600000000003 -49879.037 1.6298600000000003 -49877.994 1.6498600000000003 -49876.787 1.6698600000000003 -49875.432 1.6898600000000004 -49873.945 1.7098600000000004 -49872.340 1.7298600000000004 -49870.632