# critical constants: Temperature [T], Pressure [Pa], and Acentric factor [-] 5.2 228000.0 -0.39 # Number Of Atoms 1 # Number Of Groups 1 # Alkane-group flexible # number of atoms 1 # atomic positions 0 He # Chiral centers Bond BondDipoles Bend UrayBradley InvBend Torsion Imp. Torsion Bond/Bond Stretch/Bend Bend/Bend Stretch/Torsion Bend/Torsion IntraVDW IntraCoulomb 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 # Number of config moves 0