value	energy(kcal/mol)
0.82986	-49147.168
0.8798600000000001	-49324.080
0.9298600000000001	-49461.555
0.9798600000000002	-49568.223
1.0298600000000002	-49650.761
1.0798600000000003	-49714.340
1.1298600000000003	-49762.973
1.1798600000000004	-49799.800
1.2298600000000004	-49827.285
1.2798600000000004	-49847.375
1.3298600000000005	-49861.614
1.3798600000000005	-49871.230
1.4298600000000006	-49877.198
1.4798600000000006	-49880.297
1.5298600000000007	-49881.149
1.5798600000000007	-49880.249
1.6298600000000008	-49877.994
1.6798600000000008	-49874.704
1.7298600000000008	-49870.632
1.7798600000000009	-49865.985
1.829860000000001	-49860.928
1.879860000000001	-49855.591
1.929860000000001	-49850.083
1.979860000000001	-49844.486
2.029860000000001	-49838.870
2.079860000000001	-49833.287
2.129860000000001	-49827.778
2.1798600000000015	-49822.378
2.2298600000000013	-49817.112
2.279860000000001	-49811.998
2.3298600000000014	-49807.050
2.3798600000000016	-49802.282
2.4298600000000015	-49797.699
2.4798600000000013	-49793.309