See the supplementary material for the full derivation of the force-and torque-matching equations, the full derivation of expressions for the CG mass and inertia tensor, a description of scalar variables and basis functions used to define CG potential, a description of leastsquares solver used to optimize basis function coefficients in CG potential, a description of modified S-function potential and derivatives used to calculate forces and torques in CG MD simulations, the CG model parameters for benzene and perylene, and additional results from MD simulations of FG and CG models of benzene and perylene.