BONDS
CTL2  HAL2  309.00      1.111   ! alkanes, 4/98
CTL3  HAL3  322.00      1.111   ! alkanes, 4/98
CTL2  CTL2  222.500     1.530   ! alkanes, 3/92
CTL2  CTL3  222.500     1.528   ! alkanes, 3/92

ANGLES
HAL2 CTL2 HAL2   35.500    109.00    5.40   1.80200 ! alkane, 3/92
HAL3 CTL3 HAL3   35.500    108.40    5.40   1.80200 ! alkane, 3/92
HAL3 CTL3 HAL3   35.500    108.40    5.40   1.80200 ! alkane, 3/92
HAL2 CTL2 CTL3   34.600    110.10   22.53   2.179  ! alkane, 4/98
CTL2 CTL2 CTL3   58.000    115.00    8.00   2.561  ! alkane, 3/92
CTL2 CTL2 CTL2   58.000    115.00    8.00   2.561  ! alkane, 3/92
HAL3 CTL3 CTL2   34.600    110.10   22.53   2.179  ! alkane, 4/98
HAL2 CTL2 CTL2   26.500    110.10   22.53   2.179  ! alkane, 4/98

DIHEDRALS
CTL3 CTL2 CTL2 CTL3     0.10    2   180.00 ! alkane, 4/98, adm jr., lower butane gauche conformer
CTL3 CTL2 CTL2 CTL3     0.15    4     0.00 ! alkane, 4/98, adm jr.
CTL3 CTL2 CTL2 CTL3     0.10    6   180.00 ! alkane, 4/98, adm jr.
CTL2 CTL2 CTL2 CTL2     0.10    2   180.00 ! alkane, 4/98, adm jr., lower butane gauche conformer
CTL2 CTL2 CTL2 CTL2     0.15    4     0.00 ! alkane, 4/98, adm jr.
CTL2 CTL2 CTL2 CTL2     0.10    6   180.00 ! alkane, 4/98, adm jr.
CTL3 CTL2 CTL2 CTL2     0.10    2   180.00 ! alkane, 4/98, adm jr., lower butane gauche conformer
CTL3 CTL2 CTL2 CTL2     0.15    4     0.00 ! alkane, 4/98, adm jr.
CTL3 CTL2 CTL2 CTL2     0.10    6   180.00 ! alkane, 4/98, adm jr.
HAL2 CTL2 CTL3 HAL3     0.1600  3     0.00 ! alkane, 4/98, yin and mackerell
CTL2 CTL2 CTL3 HAL3     0.1600  3     0.00 ! alkane, 4/98, yin and mackerell
CTL3 CTL2 CTL2 HAL2     0.1900  3     0.00 ! alkane, 4/98, yin and mackerell
CTL2 CTL2 CTL2 HAL2     0.1900  3     0.00 ! alkane, 4/98, yin and mackerell
HAL2 CTL2 CTL2 HAL2     0.1900  3     0.00 ! alkane, 4/98, yin and mackerell

IMPROPER

NONBONDED
HAL2     0.0       -0.028     1.3400 ! alkane, yin and mackerell, 4/98
HAL3     0.0       -0.024     1.3400 ! alkane, yin and mackerell, 4/98
CTL2     0.0       -0.0560    2.010 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr.
CTL3     0.0       -0.0780    2.040 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr.

HBOND CUTHB 0.5

END