value	energy(kcal/mol)
109.2	-49881.072
109.4	-49881.089
109.60000000000001	-49881.103
109.80000000000001	-49881.115
110.00000000000001	-49881.126
110.20000000000002	-49881.134
110.40000000000002	-49881.141
110.60000000000002	-49881.146
110.80000000000003	-49881.149
111.00000000000003	-49881.150
111.20000000000003	-49881.149
111.40000000000003	-49881.147
111.60000000000004	-49881.143
111.80000000000004	-49881.137
112.00000000000004	-49881.129
112.20000000000005	-49881.119
112.40000000000005	-49881.108
112.60000000000005	-49881.094
112.80000000000005	-49881.079
113.00000000000006	-49881.062
113.20000000000006	-49881.044