# critical constants: Temperature [T], Pressure [Pa], and Acentric factor [-]
305.33
4871800.0
0.0993
# Number Of Atoms
2
# Number Of Groups
1
# Alkane-group
flexible
# number of atoms
2
# atomic positions
0 CH3
1 CH3
# Chiral centers Bond  BondDipoles Bend  UrayBradley InvBend  Torsion Imp. Torsion Bond/Bond Stretch/Bend Bend/Bend Stretch/Torsion Bend/Torsion IntraVDW IntraCoulomb
               0    1            0    0            0       0        0            0         0            0         0               0            0        0            0
# Bond stretch: atom n1-n2, type, parameters
0 1 HARMONIC_BOND 96500 1.54
# Number of config moves
0