This function calculates the angle between a molecule vector defined between two atoms and the surface normal vector at the postition of the molecules center of mass. Hereby all angles all summed up per bin.
If a box system is analyzed, the normal vector is the z-axis.
Data dictionary containing bins for the pore interior and exterior
Indicator wether molecule is inside or outside pore
Distance of center of mass to pore surface area
Center of mass of current molecule
List of atom positions of current molecule