#                               Positions                 Velocities
#  Atom Num     Atom Type       X       Y       Z         X       Y       Z
       1           CH3        -1.474  -9.112  11.869    -0.320   0.287  -0.285 
       2           CH2        -2.600  -9.202  10.765    -0.025  -0.435  -0.184
       3           CH2        -2.154  -9.967   9.435     0.331   0.331   0.047
       4           CH3        -3.409  -9.999   8.524    -0.138   0.023   0.060

NUMBONDS 3
1       2
2       3
3       4

NUMANGLES 2
1       2       3
2       3       4

NUMDIHEDRALS 1
1       2       3       4

VBOND
#
#  V(bond) = Kb(b - b0)**2
#
#  Kb: kcal/mole/AA**2
#  b0: AA
#
#  Atom Types        Kb          b0
   CH2   CH2      225.000       1.520
   CH2   CH3      225.000       1.540

VANGLE
#
#  V(angle) = Ktheta(Theta - Theta0)**2
#
#  Ktheta units: kcal/mole/rad**2
#  Theta0 units: degrees
#
#  Atom Types        Ktheta    Theta0  
   CH3  CH2  CH2     45.00     110.00


VDIHEDRAL
#
#  V(dihedral) = Kchi(1 + cos(n(chi) - delta))
#
#   Kchi units : kcal/mole
#      n units : multiplicity
#  delta units : degrees
#
#  Atom Types             Kchi    n   delta
CH3  CH2  CH2  CH3       1.6000   3    0.00 ! United atom butane