Table 2. Molecular Dynamics simulation.

Time (ps)	rmsd w.r.t to first conformer (Å)	Potential Energy(kcal/mol)	Temp (K)
0	0	−570.36	303
25	0.56	−566.30	306
50	0.59	−568.31	302
75	0.59	−569.15	301
100	0.60	−570.04	302