# critical constants: Temperature [T], Pressure [Pa], and Acentric factor [-] 190.564 4599200.0 0.01142 # Number Of Atoms 1 # Number Of Groups 1 # Alkane-group flexible # number of atoms 1 # atomic positions 0 CH4 # Chiral centers Bond BondDipoles Bend UrayBradley InvBend Torsion Imp. Torsion Bond/Bond Bond/Bend Bend/Bend Bond/Torsion Bend/Torsion IntraVDW Intra ch-ch Intra ch-bd Intra bd-bd 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 # Number of config moves 0