inputformat
'Towhee'
randomseed
     1302002
random_luxlevel
           3
random_allow_restart
T
ensemble
'nvt                           '
temperature
   300.00000000000000     
nmolty
           1
nmolectyp
           1
numboxes
           1
stepstyle
'cycles  '
nstep
           0
printfreq
         100
blocksize
         200
moviefreq
         100
backupfreq
         100
restartfreq
           0
runoutput
'full                '
pdb_output_freq
           0
loutdft
 F
loutlammps
 T
loutdlpoly
 F
pressurefreq
          10
trmaxdispfreq
         100
volmaxdispfreq
         100
chempotperstep
           0
potentialstyle
'internal                      '
ffnumber
           1
ff_filename
towhee_ff                                                                                           
classical_potential
'Lennard-Jones                 '
classical_mixrule
'Lorentz-Berthelot             '
lshift
 F
ltailc
 F
rmin
   0.0000000000000000     
rcut
   5.0000000000000000     
rcutin
   5.0000000000000000     
electrostatic_form
'coulomb                                           '
coulombstyle
'ewald_fixed_kmax    '
kalp
   5.5999999999999996     
kmax
           5
dielect
   1.0000000000000000     
max_bond_length
   3.0000000000000000     
nfield
           0
solvation_style
'none                '
linit
 T
initboxtype
'dimensions          '
initstyle
 'coords              ' 
initlattice
'none                '
initmol
           1
inix iniy iniz
           1           1           1
hmatrix
   27.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        11.500000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        16.500000000000000     
pm1boxcbswap
0.0000
          pm1cbswmt
          1.0000
pmavb1
0.0000
          pmavb1in
          0.5000
          pmavb1mt
          1.0000
          pmavb1ct
          1.0000
          avb1rad
           0.1000
pmavb2
0.0000
          pmavb2in
          0.5000
          pmavb2mt
          1.0000
          pmavb2ct
          1.0000
          avb2rad
           0.1000
pmavb3
0.0000
          pmavb3mt
          1.0000
          pmavb3ct
          1.0000
          avb3rad
           0.1000
pmcb
0.0000
          pmcbmt
          1.0000
          pmall
          0.0000
pmback
0.0000
          pmbkmt
          1.0000
pmcbside
0.0000
          pmcbsidemt
          1.0000
pmpivot
0.0000
          pmpivmt
          1.0000
pmconrot
0.0000
          pmcrmt
          1.0000
pmcrback
0.0000
          pmcrbmt
          1.0000
pmplane
0.0000
          pmplanebox
          1.0000
          planewidth
          1.0000
pmrow
0.0000
          pmrowbox
          1.0000
          rowwidth
          1.0000
pmtraat
0.0000
          pmtamt
          1.0000
          rmtraa
          0.5000
          tatraa
          0.5000
pmcomposite
          0.0000
pmcomt
          1.0000
rmcomtra
          0.5000
rmcomrot
          0.5000
pmtracm
0.0000
          pmtcmt
          1.0000
          rmtrac
          0.5000
          tatrac
          0.5000
pmrotate
1.0000
          pmromt
          1.0000
          rmrot
          0.5000
          tarot
          0.5000
cbmc_formulation      
'Martin and Frischknecht 2006                                '
cbmc_setting_style
'Martin and Frischknecht       '
input_style
explicit
nunit
         250
nmaxcbmc
         250
lpdbnames
 F
unit ntype qqatom
           1           1  0.30099999999999999     
vibration
           4
           2           1
           3           1
           4           2
           5           2
bending
           8
           2           6          13           1
           3           7          13           1
           4           8           6           1
           4           9           6           1
           4          10           5           1
           5          11           6           1
           5          12           6           1
           5          13           6           1
torsion
           9
           2           6          14           3
           2           6          15           4
           2           6          16           4
           3           7          17           3
           3           7          18           4
           3           7          19           4
           4          10          20           2
           4          10          21           2
           4          10          22           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
           2           2 -0.24800000000000000     
vibration
           2
           1           1
           6           1
bending
           6
           1           3           1           1
           1           4          21           1
           1           5          21           1
           6          14           1           1
           6          15          21           1
           6          16          21           1
torsion
          14
           1           3           7           3
           1           4           8           1
           1           4           9           1
           1           4          10           1
           1           5          11           1
           1           5          12           1
           1           5          13           1
           6          14          23           3
           6          15          24           1
           6          15          25           1
           6          15          26           1
           6          16          27           1
           6          16          28           1
           6          16          29           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
           3           2 -0.24800000000000000     
vibration
           2
           1           1
           7           1
bending
           6
           1           2           1           1
           1           4          21           1
           1           5          21           1
           7          17           1           1
           7          18          21           1
           7          19          21           1
torsion
          14
           1           2           6           3
           1           4           8           1
           1           4           9           1
           1           4          10           1
           1           5          11           1
           1           5          12           1
           1           5          13           1
           7          17          30           3
           7          18          31           1
           7          18          32           1
           7          18          33           1
           7          19          34           1
           7          19          35           1
           7          19          36           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
           4           3 -9.80000000000000038E-002
vibration
           4
           1           2
           8           3
           9           3
          10           4
bending
           6
           1           2          21           1
           1           3          21           1
           1           5          18           1
          10          20          10           1
          10          21           4           1
          10          22           4           1
torsion
           8
           1           2           6           4
           1           3           7           4
           1           5          11           1
           1           5          12           1
           1           5          13           1
          10          20          37           6
          10          20          38           2
          10          20          39           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
           5           3 -9.80000000000000038E-002
vibration
           4
           1           2
          11           3
          12           3
          13           3
bending
           3
           1           2          21           1
           1           3          21           1
           1           4          18           1
torsion
           5
           1           2           6           4
           1           3           7           4
           1           4           8           1
           1           4           9           1
           1           4          10           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
           6           1  0.30099999999999999     
vibration
           4
           2           1
          14           1
          15           2
          16           2
bending
           8
           2           1          13           1
          14          23          13           1
          15          24           6           1
          15          25           6           1
          15          26           5           1
          16          27           6           1
          16          28           6           1
          16          29           6           1
torsion
           9
           2           1           3           3
           2           1           4           4
           2           1           5           4
          14          23          40           3
          14          23          41           4
          14          23          42           4
          15          26          43           2
          15          26          44           2
          15          26          45           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
           7           1  0.30099999999999999     
vibration
           4
           3           1
          17           1
          18           2
          19           2
bending
           8
           3           1          13           1
          17          30          13           1
          18          31           6           1
          18          32           6           1
          18          33           5           1
          19          34           6           1
          19          35           6           1
          19          36           6           1
torsion
           9
           3           1           2           3
           3           1           4           4
           3           1           5           4
          17          30          40           3
          17          30          46           4
          17          30          47           4
          18          33          48           2
          18          33          49           2
          18          33          50           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
           8           4  3.69999999999999982E-002
vibration
           1
           4           3
bending
           3
           4           1           6           1
           4           9           3           1
           4          10           4           1
torsion
           6
           4           1           2           1
           4           1           3           1
           4           1           5           1
           4          10          20           2
           4          10          21           2
           4          10          22           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
           9           4  3.69999999999999982E-002
vibration
           1
           4           3
bending
           3
           4           1           6           1
           4           8           3           1
           4          10           4           1
torsion
           6
           4           1           2           1
           4           1           3           1
           4           1           5           1
           4          10          20           2
           4          10          21           2
           4          10          22           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          10           3  9.19999999999999984E-002
vibration
           4
           4           4
          20           4
          21           3
          22           3
bending
           6
           4           1           5           1
           4           8           4           1
           4           9           4           1
          20          37           9           1
          20          38           4           1
          20          39           4           1
torsion
           4
           4           1           2           1
           4           1           3           1
           4           1           5           1
          20          37          51           4
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          11           4  3.69999999999999982E-002
vibration
           1
           5           3
bending
           3
           5           1           6           1
           5          12           3           1
           5          13           3           1
torsion
           3
           5           1           2           1
           5           1           3           1
           5           1           4           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          12           4  3.69999999999999982E-002
vibration
           1
           5           3
bending
           3
           5           1           6           1
           5          11           3           1
           5          13           3           1
torsion
           3
           5           1           2           1
           5           1           3           1
           5           1           4           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          13           4  3.69999999999999982E-002
vibration
           1
           5           3
bending
           3
           5           1           6           1
           5          11           3           1
           5          12           3           1
torsion
           3
           5           1           2           1
           5           1           3           1
           5           1           4           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          14           2 -0.24800000000000000     
vibration
           2
           6           1
          23           1
bending
           6
           6           2           1           1
           6          15          21           1
           6          16          21           1
          23          40           1           1
          23          41          21           1
          23          42          21           1
torsion
          14
           6           2           1           3
           6          15          24           1
           6          15          25           1
           6          15          26           1
           6          16          27           1
           6          16          28           1
           6          16          29           1
          23          40          30           3
          23          41          52           1
          23          41          53           1
          23          41          54           1
          23          42          55           1
          23          42          56           1
          23          42          57           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          15           3 -9.80000000000000038E-002
vibration
           4
           6           2
          24           3
          25           3
          26           4
bending
           6
           6           2          21           1
           6          14          21           1
           6          16          18           1
          26          43          10           1
          26          44           4           1
          26          45           4           1
torsion
           8
           6           2           1           4
           6          14          23           4
           6          16          27           1
           6          16          28           1
           6          16          29           1
          26          43          58           6
          26          43          59           2
          26          43          60           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          16           3 -9.80000000000000038E-002
vibration
           4
           6           2
          27           3
          28           3
          29           3
bending
           3
           6           2          21           1
           6          14          21           1
           6          15          18           1
torsion
           5
           6           2           1           4
           6          14          23           4
           6          15          24           1
           6          15          25           1
           6          15          26           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          17           2 -0.24800000000000000     
vibration
           2
           7           1
          30           1
bending
           6
           7           3           1           1
           7          18          21           1
           7          19          21           1
          30          40           1           1
          30          46          21           1
          30          47          21           1
torsion
          14
           7           3           1           3
           7          18          31           1
           7          18          32           1
           7          18          33           1
           7          19          34           1
           7          19          35           1
           7          19          36           1
          30          40          23           3
          30          46          61           1
          30          46          62           1
          30          46          63           1
          30          47          64           1
          30          47          65           1
          30          47          66           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          18           3 -9.80000000000000038E-002
vibration
           4
           7           2
          31           3
          32           3
          33           4
bending
           6
           7           3          21           1
           7          17          21           1
           7          19          18           1
          33          48          10           1
          33          49           4           1
          33          50           4           1
torsion
           8
           7           3           1           4
           7          17          30           4
           7          19          34           1
           7          19          35           1
           7          19          36           1
          33          48          67           6
          33          48          68           2
          33          48          69           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          19           3 -9.80000000000000038E-002
vibration
           4
           7           2
          34           3
          35           3
          36           3
bending
           3
           7           3          21           1
           7          17          21           1
           7          18          18           1
torsion
           5
           7           3           1           4
           7          17          30           4
           7          18          31           1
           7          18          32           1
           7          18          33           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          20           3  9.19999999999999984E-002
vibration
           4
          37          14
          10           4
          38           3
          39           3
bending
           4
          37          51          12           1
          10           4          10           1
          10          21           4           1
          10          22           4           1
torsion
           5
          10           4           1           2
          10           4           8           2
          10           4           9           2
          37          51          70           8
          37          51          71           8
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          21           4  3.69999999999999982E-002
vibration
           1
          10           3
bending
           3
          10           4           4           1
          10          20           4           1
          10          22           3           1
torsion
           6
          10           4           1           2
          10           4           8           2
          10           4           9           2
          10          20          37           2
          10          20          38           2
          10          20          39           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          22           4  3.69999999999999982E-002
vibration
           1
          10           3
bending
           3
          10           4           4           1
          10          20           4           1
          10          21           3           1
torsion
           6
          10           4           1           2
          10           4           8           2
          10           4           9           2
          10          20          37           2
          10          20          38           2
          10          20          39           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          23           1  0.30099999999999999     
vibration
           4
          40           1
          14           1
          41           2
          42           2
bending
           8
          40          30          13           1
          14           6          13           1
          41          52           6           1
          41          53           6           1
          41          54           6           1
          42          55           6           1
          42          56           6           1
          42          57           5           1
torsion
           9
          14           6           2           3
          14           6          15           4
          14           6          16           4
          40          30          17           3
          40          30          46           4
          40          30          47           4
          42          57          72           2
          42          57          73           2
          42          57          74           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          24           4  3.69999999999999982E-002
vibration
           1
          15           3
bending
           3
          15           6           6           1
          15          25           3           1
          15          26           4           1
torsion
           6
          15           6           2           1
          15           6          14           1
          15           6          16           1
          15          26          43           2
          15          26          44           2
          15          26          45           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          25           4  3.69999999999999982E-002
vibration
           1
          15           3
bending
           3
          15           6           6           1
          15          24           3           1
          15          26           4           1
torsion
           6
          15           6           2           1
          15           6          14           1
          15           6          16           1
          15          26          43           2
          15          26          44           2
          15          26          45           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          26           3  9.19999999999999984E-002
vibration
           4
          15           4
          43           4
          44           3
          45           3
bending
           6
          15           6           5           1
          15          24           4           1
          15          25           4           1
          43          58           9           1
          43          59           4           1
          43          60           4           1
torsion
           4
          15           6           2           1
          15           6          14           1
          15           6          16           1
          43          58          75           4
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          27           4  3.69999999999999982E-002
vibration
           1
          16           3
bending
           3
          16           6           6           1
          16          28           3           1
          16          29           3           1
torsion
           3
          16           6           2           1
          16           6          14           1
          16           6          15           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          28           4  3.69999999999999982E-002
vibration
           1
          16           3
bending
           3
          16           6           6           1
          16          27           3           1
          16          29           3           1
torsion
           3
          16           6           2           1
          16           6          14           1
          16           6          15           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          29           4  3.69999999999999982E-002
vibration
           1
          16           3
bending
           3
          16           6           6           1
          16          27           3           1
          16          28           3           1
torsion
           3
          16           6           2           1
          16           6          14           1
          16           6          15           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          30           1  0.30099999999999999     
vibration
           4
          17           1
          40           1
          46           2
          47           2
bending
           8
          17           7          13           1
          40          23          13           1
          46          61           6           1
          46          62           6           1
          46          63           6           1
          47          64           6           1
          47          65           6           1
          47          66           5           1
torsion
           9
          17           7           3           3
          17           7          18           4
          17           7          19           4
          40          23          14           3
          40          23          41           4
          40          23          42           4
          47          66          76           2
          47          66          77           2
          47          66          78           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          31           4  3.69999999999999982E-002
vibration
           1
          18           3
bending
           3
          18           7           6           1
          18          32           3           1
          18          33           4           1
torsion
           6
          18           7           3           1
          18           7          17           1
          18           7          19           1
          18          33          48           2
          18          33          49           2
          18          33          50           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          32           4  3.69999999999999982E-002
vibration
           1
          18           3
bending
           3
          18           7           6           1
          18          31           3           1
          18          33           4           1
torsion
           6
          18           7           3           1
          18           7          17           1
          18           7          19           1
          18          33          48           2
          18          33          49           2
          18          33          50           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          33           3  9.19999999999999984E-002
vibration
           4
          18           4
          48           4
          49           3
          50           3
bending
           6
          18           7           5           1
          18          31           4           1
          18          32           4           1
          48          67           9           1
          48          68           4           1
          48          69           4           1
torsion
           4
          18           7           3           1
          18           7          17           1
          18           7          19           1
          48          67          79           4
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          34           4  3.69999999999999982E-002
vibration
           1
          19           3
bending
           3
          19           7           6           1
          19          35           3           1
          19          36           3           1
torsion
           3
          19           7           3           1
          19           7          17           1
          19           7          18           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          35           4  3.69999999999999982E-002
vibration
           1
          19           3
bending
           3
          19           7           6           1
          19          34           3           1
          19          36           3           1
torsion
           3
          19           7           3           1
          19           7          17           1
          19           7          18           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          36           4  3.69999999999999982E-002
vibration
           1
          19           3
bending
           3
          19           7           6           1
          19          34           3           1
          19          35           3           1
torsion
           3
          19           7           3           1
          19           7          17           1
          19           7          18           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          37          10 -0.36899999999999999     
vibration
           2
          51          13
          20          14
bending
           5
          51          70           7           1
          51          71           7           1
          20          10           9           1
          20          38           8           1
          20          39           8           1
torsion
           7
          51          70          80          12
          51          70          81          12
          51          71          82          12
          51          71          83          12
          20          10           4           6
          20          10          21           2
          20          10          22           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          38           4  3.69999999999999982E-002
vibration
           1
          20           3
bending
           3
          20          37           8           1
          20          10           4           1
          20          39           3           1
torsion
           4
          20          37          51           4
          20          10           4           2
          20          10          21           2
          20          10          22           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          39           4  3.69999999999999982E-002
vibration
           1
          20           3
bending
           3
          20          37           8           1
          20          10           4           1
          20          38           3           1
torsion
           4
          20          37          51           4
          20          10           4           2
          20          10          21           2
          20          10          22           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          40           2 -0.24800000000000000     
vibration
           2
          30           1
          23           1
bending
           6
          30          17           1           1
          30          46          21           1
          30          47          21           1
          23          14           1           1
          23          41          21           1
          23          42          21           1
torsion
          14
          30          17           7           3
          30          46          61           1
          30          46          62           1
          30          46          63           1
          30          47          64           1
          30          47          65           1
          30          47          66           1
          23          14           6           3
          23          41          52           1
          23          41          53           1
          23          41          54           1
          23          42          55           1
          23          42          56           1
          23          42          57           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          41           3 -9.80000000000000038E-002
vibration
           4
          23           2
          52           3
          53           3
          54           3
bending
           3
          23          40          21           1
          23          14          21           1
          23          42          18           1
torsion
           5
          23          40          30           4
          23          14           6           4
          23          42          55           1
          23          42          56           1
          23          42          57           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          42           3 -9.80000000000000038E-002
vibration
           4
          23           2
          55           3
          56           3
          57           4
bending
           6
          23          40          21           1
          23          14          21           1
          23          41          18           1
          57          72          10           1
          57          73           4           1
          57          74           4           1
torsion
           8
          23          40          30           4
          23          14           6           4
          23          41          52           1
          23          41          53           1
          23          41          54           1
          57          72          84           6
          57          72          85           2
          57          72          86           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          43           3  9.19999999999999984E-002
vibration
           4
          58          14
          26           4
          59           3
          60           3
bending
           4
          58          75          12           1
          26          15          10           1
          26          44           4           1
          26          45           4           1
torsion
           5
          26          15           6           2
          26          15          24           2
          26          15          25           2
          58          75          87           8
          58          75          88           8
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          44           4  3.69999999999999982E-002
vibration
           1
          26           3
bending
           3
          26          15           4           1
          26          43           4           1
          26          45           3           1
torsion
           6
          26          15           6           2
          26          15          24           2
          26          15          25           2
          26          43          58           2
          26          43          59           2
          26          43          60           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          45           4  3.69999999999999982E-002
vibration
           1
          26           3
bending
           3
          26          15           4           1
          26          43           4           1
          26          44           3           1
torsion
           6
          26          15           6           2
          26          15          24           2
          26          15          25           2
          26          43          58           2
          26          43          59           2
          26          43          60           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          46           3 -9.80000000000000038E-002
vibration
           4
          30           2
          61           3
          62           3
          63           3
bending
           3
          30          17          21           1
          30          40          21           1
          30          47          18           1
torsion
           5
          30          17           7           4
          30          40          23           4
          30          47          64           1
          30          47          65           1
          30          47          66           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          47           3 -9.80000000000000038E-002
vibration
           4
          30           2
          64           3
          65           3
          66           4
bending
           6
          30          17          21           1
          30          40          21           1
          30          46          18           1
          66          76          10           1
          66          77           4           1
          66          78           4           1
torsion
           8
          30          17           7           4
          30          40          23           4
          30          46          61           1
          30          46          62           1
          30          46          63           1
          66          76          89           6
          66          76          90           2
          66          76          91           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          48           3  9.19999999999999984E-002
vibration
           4
          67          14
          33           4
          68           3
          69           3
bending
           4
          67          79          12           1
          33          18          10           1
          33          49           4           1
          33          50           4           1
torsion
           5
          33          18           7           2
          33          18          31           2
          33          18          32           2
          67          79          92           8
          67          79          93           8
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          49           4  3.69999999999999982E-002
vibration
           1
          33           3
bending
           3
          33          18           4           1
          33          48           4           1
          33          50           3           1
torsion
           6
          33          18           7           2
          33          18          31           2
          33          18          32           2
          33          48          67           2
          33          48          68           2
          33          48          69           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          50           4  3.69999999999999982E-002
vibration
           1
          33           3
bending
           3
          33          18           4           1
          33          48           4           1
          33          49           3           1
torsion
           6
          33          18           7           2
          33          18          31           2
          33          18          32           2
          33          48          67           2
          33          48          68           2
          33          48          69           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          51           5  0.18200000000000000     
vibration
           3
          70           6
          71           6
          37          13
bending
           5
          70          80          16           1
          70          81           2           1
          71          82          16           1
          71          83           2           1
          37          20          12           1
torsion
           7
          70          80          94          13
          70          80          95          11
          71          82          94          13
          71          82          96          11
          37          20          10           4
          37          20          38           4
          37          20          39           4
angle-angle
           0
improper torsion
           1
          70          71          37           5
unit ntype qqatom
          52           4  3.69999999999999982E-002
vibration
           1
          41           3
bending
           3
          41          23           6           1
          41          53           3           1
          41          54           3           1
torsion
           3
          41          23          40           1
          41          23          14           1
          41          23          42           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          53           4  3.69999999999999982E-002
vibration
           1
          41           3
bending
           3
          41          23           6           1
          41          52           3           1
          41          54           3           1
torsion
           3
          41          23          40           1
          41          23          14           1
          41          23          42           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          54           4  3.69999999999999982E-002
vibration
           1
          41           3
bending
           3
          41          23           6           1
          41          52           3           1
          41          53           3           1
torsion
           3
          41          23          40           1
          41          23          14           1
          41          23          42           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          55           4  3.69999999999999982E-002
vibration
           1
          42           3
bending
           3
          42          23           6           1
          42          56           3           1
          42          57           4           1
torsion
           6
          42          23          40           1
          42          23          14           1
          42          23          41           1
          42          57          72           2
          42          57          73           2
          42          57          74           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          56           4  3.69999999999999982E-002
vibration
           1
          42           3
bending
           3
          42          23           6           1
          42          55           3           1
          42          57           4           1
torsion
           6
          42          23          40           1
          42          23          14           1
          42          23          41           1
          42          57          72           2
          42          57          73           2
          42          57          74           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          57           3  9.19999999999999984E-002
vibration
           4
          42           4
          72           4
          73           3
          74           3
bending
           6
          42          23           5           1
          42          55           4           1
          42          56           4           1
          72          84           9           1
          72          85           4           1
          72          86           4           1
torsion
           4
          42          23          40           1
          42          23          14           1
          42          23          41           1
          72          84          97           4
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          58          10 -0.36899999999999999     
vibration
           2
          75          13
          43          14
bending
           5
          75          87           7           1
          75          88           7           1
          43          26           9           1
          43          59           8           1
          43          60           8           1
torsion
           7
          75          87          98          12
          75          87          99          12
          75          88         100          12
          75          88         101          12
          43          26          15           6
          43          26          44           2
          43          26          45           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          59           4  3.69999999999999982E-002
vibration
           1
          43           3
bending
           3
          43          58           8           1
          43          26           4           1
          43          60           3           1
torsion
           4
          43          58          75           4
          43          26          15           2
          43          26          44           2
          43          26          45           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          60           4  3.69999999999999982E-002
vibration
           1
          43           3
bending
           3
          43          58           8           1
          43          26           4           1
          43          59           3           1
torsion
           4
          43          58          75           4
          43          26          15           2
          43          26          44           2
          43          26          45           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          61           4  3.69999999999999982E-002
vibration
           1
          46           3
bending
           3
          46          30           6           1
          46          62           3           1
          46          63           3           1
torsion
           3
          46          30          17           1
          46          30          40           1
          46          30          47           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          62           4  3.69999999999999982E-002
vibration
           1
          46           3
bending
           3
          46          30           6           1
          46          61           3           1
          46          63           3           1
torsion
           3
          46          30          17           1
          46          30          40           1
          46          30          47           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          63           4  3.69999999999999982E-002
vibration
           1
          46           3
bending
           3
          46          30           6           1
          46          61           3           1
          46          62           3           1
torsion
           3
          46          30          17           1
          46          30          40           1
          46          30          47           1
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          64           4  3.69999999999999982E-002
vibration
           1
          47           3
bending
           3
          47          30           6           1
          47          65           3           1
          47          66           4           1
torsion
           6
          47          30          17           1
          47          30          40           1
          47          30          46           1
          47          66          76           2
          47          66          77           2
          47          66          78           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          65           4  3.69999999999999982E-002
vibration
           1
          47           3
bending
           3
          47          30           6           1
          47          64           3           1
          47          66           4           1
torsion
           6
          47          30          17           1
          47          30          40           1
          47          30          46           1
          47          66          76           2
          47          66          77           2
          47          66          78           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          66           3  9.19999999999999984E-002
vibration
           4
          47           4
          76           4
          77           3
          78           3
bending
           6
          47          30           5           1
          47          64           4           1
          47          65           4           1
          76          89           9           1
          76          90           4           1
          76          91           4           1
torsion
           4
          47          30          17           1
          47          30          40           1
          47          30          46           1
          76          89         102           4
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          67          10 -0.36899999999999999     
vibration
           2
          79          13
          48          14
bending
           5
          79          92           7           1
          79          93           7           1
          48          33           9           1
          48          68           8           1
          48          69           8           1
torsion
           7
          79          92         103          12
          79          92         104          12
          79          93         105          12
          79          93         106          12
          48          33          18           6
          48          33          49           2
          48          33          50           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          68           4  3.69999999999999982E-002
vibration
           1
          48           3
bending
           3
          48          67           8           1
          48          33           4           1
          48          69           3           1
torsion
           4
          48          67          79           4
          48          33          18           2
          48          33          49           2
          48          33          50           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          69           4  3.69999999999999982E-002
vibration
           1
          48           3
bending
           3
          48          67           8           1
          48          33           4           1
          48          68           3           1
torsion
           4
          48          67          79           4
          48          33          18           2
          48          33          49           2
          48          33          50           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          70           5 -0.12800000000000000     
vibration
           3
          80           6
          51           6
          81           7
bending
           4
          80          94          16           1
          80          95           2           1
          51          71          16           1
          51          37           7           1
torsion
           5
          80          94         107          12
          80          94          82          13
          51          71          82          13
          51          71          83          11
          51          37          20           8
angle-angle
           0
improper torsion
           1
          80          51          81           6
unit ntype qqatom
          71           5 -0.12800000000000000     
vibration
           3
          51           6
          82           6
          83           7
bending
           4
          51          70          16           1
          51          37           7           1
          82          94          16           1
          82          96           2           1
torsion
           5
          82          94         107          12
          82          94          80          13
          51          70          80          13
          51          70          81          11
          51          37          20           8
angle-angle
           0
improper torsion
           1
          51          82          83           6
unit ntype qqatom
          72           3  9.19999999999999984E-002
vibration
           4
          84          14
          57           4
          85           3
          86           3
bending
           4
          84          97          12           1
          57          42          10           1
          57          73           4           1
          57          74           4           1
torsion
           5
          57          42          23           2
          57          42          55           2
          57          42          56           2
          84          97         108           8
          84          97         109           8
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          73           4  3.69999999999999982E-002
vibration
           1
          57           3
bending
           3
          57          42           4           1
          57          72           4           1
          57          74           3           1
torsion
           6
          57          42          23           2
          57          42          55           2
          57          42          56           2
          57          72          84           2
          57          72          85           2
          57          72          86           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          74           4  3.69999999999999982E-002
vibration
           1
          57           3
bending
           3
          57          42           4           1
          57          72           4           1
          57          73           3           1
torsion
           6
          57          42          23           2
          57          42          55           2
          57          42          56           2
          57          72          84           2
          57          72          85           2
          57          72          86           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          75           5  0.18200000000000000     
vibration
           3
          87           6
          88           6
          58          13
bending
           5
          87          98          16           1
          87          99           2           1
          88         100          16           1
          88         101           2           1
          58          43          12           1
torsion
           7
          87          98         110          13
          87          98         111          11
          88         100         110          13
          88         100         112          11
          58          43          26           4
          58          43          59           4
          58          43          60           4
angle-angle
           0
improper torsion
           1
          87          88          58           5
unit ntype qqatom
          76           3  9.19999999999999984E-002
vibration
           4
          89          14
          66           4
          90           3
          91           3
bending
           4
          89         102          12           1
          66          47          10           1
          66          77           4           1
          66          78           4           1
torsion
           5
          66          47          30           2
          66          47          64           2
          66          47          65           2
          89         102         113           8
          89         102         114           8
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          77           4  3.69999999999999982E-002
vibration
           1
          66           3
bending
           3
          66          47           4           1
          66          76           4           1
          66          78           3           1
torsion
           6
          66          47          30           2
          66          47          64           2
          66          47          65           2
          66          76          89           2
          66          76          90           2
          66          76          91           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          78           4  3.69999999999999982E-002
vibration
           1
          66           3
bending
           3
          66          47           4           1
          66          76           4           1
          66          77           3           1
torsion
           6
          66          47          30           2
          66          47          64           2
          66          47          65           2
          66          76          89           2
          66          76          90           2
          66          76          91           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          79           5  0.18200000000000000     
vibration
           3
          92           6
          93           6
          67          13
bending
           5
          92         103          16           1
          92         104           2           1
          93         105          16           1
          93         106           2           1
          67          48          12           1
torsion
           7
          92         103         115          13
          92         103         116          11
          93         105         115          13
          93         105         117          11
          67          48          33           4
          67          48          68           4
          67          48          69           4
angle-angle
           0
improper torsion
           1
          92          93          67           5
unit ntype qqatom
          80           5 -0.12800000000000000     
vibration
           3
          94           6
          70           6
          95           7
bending
           4
          94         107          16           1
          94          82          16           1
          70          51          16           1
          70          81           2           1
torsion
           6
          94         107         118           5
          94         107         119           5
          94          82          71          13
          94          82          96          11
          70          51          71          13
          70          51          37          12
angle-angle
           0
improper torsion
           1
          94          70          95           6
unit ntype qqatom
          81           4  0.13200000000000001     
vibration
           1
          70           7
bending
           2
          70          80           2           1
          70          51           2           1
torsion
           4
          70          80          94          11
          70          80          95           9
          70          51          71          11
          70          51          37          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          82           5 -0.12800000000000000     
vibration
           3
          94           6
          71           6
          96           7
bending
           4
          94         107          16           1
          94          80          16           1
          71          51          16           1
          71          83           2           1
torsion
           6
          94         107         118           5
          94         107         119           5
          94          80          70          13
          94          80          95          11
          71          51          70          13
          71          51          37          12
angle-angle
           0
improper torsion
           1
          94          71          96           6
unit ntype qqatom
          83           4  0.13200000000000001     
vibration
           1
          71           7
bending
           2
          71          51           2           1
          71          82           2           1
torsion
           4
          71          51          70          11
          71          51          37          12
          71          82          94          11
          71          82          96           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          84          10 -0.36899999999999999     
vibration
           2
          97          13
          72          14
bending
           5
          97         108           7           1
          97         109           7           1
          72          57           9           1
          72          85           8           1
          72          86           8           1
torsion
           7
          97         108         120          12
          97         108         121          12
          97         109         122          12
          97         109         123          12
          72          57          42           6
          72          57          73           2
          72          57          74           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          85           4  3.69999999999999982E-002
vibration
           1
          72           3
bending
           3
          72          84           8           1
          72          57           4           1
          72          86           3           1
torsion
           4
          72          84          97           4
          72          57          42           2
          72          57          73           2
          72          57          74           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          86           4  3.69999999999999982E-002
vibration
           1
          72           3
bending
           3
          72          84           8           1
          72          57           4           1
          72          85           3           1
torsion
           4
          72          84          97           4
          72          57          42           2
          72          57          73           2
          72          57          74           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          87           5 -0.12800000000000000     
vibration
           3
          98           6
          75           6
          99           7
bending
           4
          98         110          16           1
          98         111           2           1
          75          88          16           1
          75          58           7           1
torsion
           5
          98         110         124          12
          98         110         100          13
          75          88         100          13
          75          88         101          11
          75          58          43           8
angle-angle
           0
improper torsion
           1
          98          75          99           6
unit ntype qqatom
          88           5 -0.12800000000000000     
vibration
           3
          75           6
         100           6
         101           7
bending
           4
          75          87          16           1
          75          58           7           1
         100         110          16           1
         100         112           2           1
torsion
           5
         100         110         124          12
         100         110          98          13
          75          87          98          13
          75          87          99          11
          75          58          43           8
angle-angle
           0
improper torsion
           1
          75         100         101           6
unit ntype qqatom
          89          10 -0.36899999999999999     
vibration
           2
         102          13
          76          14
bending
           5
         102         113           7           1
         102         114           7           1
          76          66           9           1
          76          90           8           1
          76          91           8           1
torsion
           7
         102         113         125          12
         102         113         126          12
         102         114         127          12
         102         114         128          12
          76          66          47           6
          76          66          77           2
          76          66          78           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          90           4  3.69999999999999982E-002
vibration
           1
          76           3
bending
           3
          76          89           8           1
          76          66           4           1
          76          91           3           1
torsion
           4
          76          89         102           4
          76          66          47           2
          76          66          77           2
          76          66          78           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          91           4  3.69999999999999982E-002
vibration
           1
          76           3
bending
           3
          76          89           8           1
          76          66           4           1
          76          90           3           1
torsion
           4
          76          89         102           4
          76          66          47           2
          76          66          77           2
          76          66          78           2
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          92           5 -0.12800000000000000     
vibration
           3
         103           6
          79           6
         104           7
bending
           4
         103         115          16           1
         103         116           2           1
          79          93          16           1
          79          67           7           1
torsion
           5
         103         115         129          12
         103         115         105          13
          79          93         105          13
          79          93         106          11
          79          67          48           8
angle-angle
           0
improper torsion
           1
         103          79         104           6
unit ntype qqatom
          93           5 -0.12800000000000000     
vibration
           3
          79           6
         105           6
         106           7
bending
           4
          79          92          16           1
          79          67           7           1
         105         115          16           1
         105         117           2           1
torsion
           5
         105         115         129          12
         105         115         103          13
          79          92         103          13
          79          92         104          11
          79          67          48           8
angle-angle
           0
improper torsion
           1
          79         105         106           6
unit ntype qqatom
          94           5  2.00000000000000004E-003
vibration
           3
         107          12
          80           6
          82           6
bending
           6
         107         118          11           1
         107         119          22           1
          80          70          16           1
          80          95           2           1
          82          71          16           1
          82          96           2           1
torsion
           5
         107         118         130           9
          80          70          51          13
          80          70          81          11
          82          71          51          13
          82          71          83          11
angle-angle
           0
improper torsion
           1
          82          80         107           1
unit ntype qqatom
          95           4  0.13200000000000001     
vibration
           1
          80           7
bending
           2
          80          94           2           1
          80          70           2           1
torsion
           4
          80          94         107          12
          80          94          82          11
          80          70          51          11
          80          70          81           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          96           4  0.13200000000000001     
vibration
           1
          82           7
bending
           2
          82          94           2           1
          82          71           2           1
torsion
           4
          82          94         107          12
          82          94          80          11
          82          71          51          11
          82          71          83           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
          97           5  0.18200000000000000     
vibration
           3
         108           6
         109           6
          84          13
bending
           5
         108         120          16           1
         108         121           2           1
         109         122          16           1
         109         123           2           1
          84          72          12           1
torsion
           7
         108         120         131          13
         108         120         132          11
         109         122         131          13
         109         122         133          11
          84          72          57           4
          84          72          85           4
          84          72          86           4
angle-angle
           0
improper torsion
           1
         108         109          84           5
unit ntype qqatom
          98           5 -0.12800000000000000     
vibration
           3
         110           6
          87           6
         111           7
bending
           4
         110         124          16           1
         110         100          16           1
          87          75          16           1
          87          99           2           1
torsion
           6
         110         124         134           5
         110         124         135           5
         110         100          88          13
         110         100         112          11
          87          75          88          13
          87          75          58          12
angle-angle
           0
improper torsion
           1
         110          87         111           6
unit ntype qqatom
          99           4  0.13200000000000001     
vibration
           1
          87           7
bending
           2
          87          98           2           1
          87          75           2           1
torsion
           4
          87          98         110          11
          87          98         111           9
          87          75          88          11
          87          75          58          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         100           5 -0.12800000000000000     
vibration
           3
         110           6
          88           6
         112           7
bending
           4
         110         124          16           1
         110          98          16           1
          88          75          16           1
          88         101           2           1
torsion
           6
         110         124         134           5
         110         124         135           5
         110          98          87          13
         110          98         111          11
          88          75          87          13
          88          75          58          12
angle-angle
           0
improper torsion
           1
         110          88         112           6
unit ntype qqatom
         101           4  0.13200000000000001     
vibration
           1
          88           7
bending
           2
          88          75           2           1
          88         100           2           1
torsion
           4
          88          75          87          11
          88          75          58          12
          88         100         110          11
          88         100         112           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         102           5  0.18200000000000000     
vibration
           3
         113           6
         114           6
          89          13
bending
           5
         113         125          16           1
         113         126           2           1
         114         127          16           1
         114         128           2           1
          89          76          12           1
torsion
           7
         113         125         136          13
         113         125         137          11
         114         127         136          13
         114         127         138          11
          89          76          66           4
          89          76          90           4
          89          76          91           4
angle-angle
           0
improper torsion
           1
         113         114          89           5
unit ntype qqatom
         103           5 -0.12800000000000000     
vibration
           3
         115           6
          92           6
         116           7
bending
           4
         115         129          16           1
         115         105          16           1
          92          79          16           1
          92         104           2           1
torsion
           6
         115         129         139           5
         115         129         140           5
         115         105          93          13
         115         105         117          11
          92          79          93          13
          92          79          67          12
angle-angle
           0
improper torsion
           1
         115          92         116           6
unit ntype qqatom
         104           4  0.13200000000000001     
vibration
           1
          92           7
bending
           2
          92         103           2           1
          92          79           2           1
torsion
           4
          92         103         115          11
          92         103         116           9
          92          79          93          11
          92          79          67          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         105           5 -0.12800000000000000     
vibration
           3
         115           6
          93           6
         117           7
bending
           4
         115         129          16           1
         115         103          16           1
          93          79          16           1
          93         106           2           1
torsion
           6
         115         129         139           5
         115         129         140           5
         115         103          92          13
         115         103         116          11
          93          79          92          13
          93          79          67          12
angle-angle
           0
improper torsion
           1
         115          93         117           6
unit ntype qqatom
         106           4  0.13200000000000001     
vibration
           1
          93           7
bending
           2
          93          79           2           1
          93         105           2           1
torsion
           4
          93          79          92          11
          93          79          67          12
          93         105         115          11
          93         105         117           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         107           8  0.70099999999999996     
vibration
           3
         118          10
         119          11
          94          12
bending
           3
         118         130          14           1
          94          80          16           1
          94          82          16           1
torsion
           6
         118         130         141           5
         118         130         142           5
          94          80          70          12
          94          80          95          12
          94          82          71          12
          94          82          96          12
angle-angle
           0
improper torsion
           1
         118         119          94           1
unit ntype qqatom
         108           5 -0.12800000000000000     
vibration
           3
         120           6
          97           6
         121           7
bending
           4
         120         131          16           1
         120         132           2           1
          97         109          16           1
          97          84           7           1
torsion
           5
         120         131         143          12
         120         131         122          13
          97         109         122          13
          97         109         123          11
          97          84          72           8
angle-angle
           0
improper torsion
           1
         120          97         121           6
unit ntype qqatom
         109           5 -0.12800000000000000     
vibration
           3
          97           6
         122           6
         123           7
bending
           4
          97         108          16           1
          97          84           7           1
         122         131          16           1
         122         133           2           1
torsion
           5
         122         131         143          12
         122         131         120          13
          97         108         120          13
          97         108         121          11
          97          84          72           8
angle-angle
           0
improper torsion
           1
          97         122         123           6
unit ntype qqatom
         110           5  2.00000000000000004E-003
vibration
           3
         124          12
          98           6
         100           6
bending
           6
         124         134          11           1
         124         135          22           1
          98          87          16           1
          98         111           2           1
         100          88          16           1
         100         112           2           1
torsion
           5
         124         134         144           9
          98          87          75          13
          98          87          99          11
         100          88          75          13
         100          88         101          11
angle-angle
           0
improper torsion
           1
         100          98         124           1
unit ntype qqatom
         111           4  0.13200000000000001     
vibration
           1
          98           7
bending
           2
          98         110           2           1
          98          87           2           1
torsion
           4
          98         110         124          12
          98         110         100          11
          98          87          75          11
          98          87          99           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         112           4  0.13200000000000001     
vibration
           1
         100           7
bending
           2
         100         110           2           1
         100          88           2           1
torsion
           4
         100         110         124          12
         100         110          98          11
         100          88          75          11
         100          88         101           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         113           5 -0.12800000000000000     
vibration
           3
         125           6
         102           6
         126           7
bending
           4
         125         136          16           1
         125         137           2           1
         102         114          16           1
         102          89           7           1
torsion
           5
         125         136         145          12
         125         136         127          13
         102         114         127          13
         102         114         128          11
         102          89          76           8
angle-angle
           0
improper torsion
           1
         125         102         126           6
unit ntype qqatom
         114           5 -0.12800000000000000     
vibration
           3
         102           6
         127           6
         128           7
bending
           4
         102         113          16           1
         102          89           7           1
         127         136          16           1
         127         138           2           1
torsion
           5
         127         136         145          12
         127         136         125          13
         102         113         125          13
         102         113         126          11
         102          89          76           8
angle-angle
           0
improper torsion
           1
         102         127         128           6
unit ntype qqatom
         115           5  2.00000000000000004E-003
vibration
           3
         129          12
         103           6
         105           6
bending
           6
         129         139          11           1
         129         140          22           1
         103          92          16           1
         103         116           2           1
         105          93          16           1
         105         117           2           1
torsion
           5
         129         139         146           9
         103          92          79          13
         103          92         104          11
         105          93          79          13
         105          93         106          11
angle-angle
           0
improper torsion
           1
         105         103         129           1
unit ntype qqatom
         116           4  0.13200000000000001     
vibration
           1
         103           7
bending
           2
         103         115           2           1
         103          92           2           1
torsion
           4
         103         115         129          12
         103         115         105          11
         103          92          79          11
         103          92         104           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         117           4  0.13200000000000001     
vibration
           1
         105           7
bending
           2
         105         115           2           1
         105          93           2           1
torsion
           4
         105         115         129          12
         105         115         103          11
         105          93          79          11
         105          93         106           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         118           7 -0.64900000000000002     
vibration
           2
         130           9
         107          10
bending
           4
         130         141          19           1
         130         142          19           1
         107         119          20           1
         107          94          11           1
torsion
           6
         130         141         147          12
         130         141         148          12
         130         142         149          12
         130         142         150          12
         107          94          80           5
         107          94          82           5
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         119           9 -0.54900000000000004     
vibration
           1
         107          11
bending
           2
         107         118          20           1
         107          94          22           1
torsion
           3
         107         118         130           9
         107          94          80           5
         107          94          82           5
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         120           5 -0.12800000000000000     
vibration
           3
         131           6
         108           6
         132           7
bending
           4
         131         143          16           1
         131         122          16           1
         108          97          16           1
         108         121           2           1
torsion
           6
         131         143         151           5
         131         143         152           5
         131         122         109          13
         131         122         133          11
         108          97         109          13
         108          97          84          12
angle-angle
           0
improper torsion
           1
         131         108         132           6
unit ntype qqatom
         121           4  0.13200000000000001     
vibration
           1
         108           7
bending
           2
         108         120           2           1
         108          97           2           1
torsion
           4
         108         120         131          11
         108         120         132           9
         108          97         109          11
         108          97          84          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         122           5 -0.12800000000000000     
vibration
           3
         131           6
         109           6
         133           7
bending
           4
         131         143          16           1
         131         120          16           1
         109          97          16           1
         109         123           2           1
torsion
           6
         131         143         151           5
         131         143         152           5
         131         120         108          13
         131         120         132          11
         109          97         108          13
         109          97          84          12
angle-angle
           0
improper torsion
           1
         131         109         133           6
unit ntype qqatom
         123           4  0.13200000000000001     
vibration
           1
         109           7
bending
           2
         109          97           2           1
         109         122           2           1
torsion
           4
         109          97         108          11
         109          97          84          12
         109         122         131          11
         109         122         133           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         124           8  0.70099999999999996     
vibration
           3
         134          10
         135          11
         110          12
bending
           3
         134         144          14           1
         110          98          16           1
         110         100          16           1
torsion
           6
         134         144         153           5
         134         144         154           5
         110          98          87          12
         110          98         111          12
         110         100          88          12
         110         100         112          12
angle-angle
           0
improper torsion
           1
         134         135         110           1
unit ntype qqatom
         125           5 -0.12800000000000000     
vibration
           3
         136           6
         113           6
         137           7
bending
           4
         136         145          16           1
         136         127          16           1
         113         102          16           1
         113         126           2           1
torsion
           6
         136         145         155           5
         136         145         156           5
         136         127         114          13
         136         127         138          11
         113         102         114          13
         113         102          89          12
angle-angle
           0
improper torsion
           1
         136         113         137           6
unit ntype qqatom
         126           4  0.13200000000000001     
vibration
           1
         113           7
bending
           2
         113         125           2           1
         113         102           2           1
torsion
           4
         113         125         136          11
         113         125         137           9
         113         102         114          11
         113         102          89          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         127           5 -0.12800000000000000     
vibration
           3
         136           6
         114           6
         138           7
bending
           4
         136         145          16           1
         136         125          16           1
         114         102          16           1
         114         128           2           1
torsion
           6
         136         145         155           5
         136         145         156           5
         136         125         113          13
         136         125         137          11
         114         102         113          13
         114         102          89          12
angle-angle
           0
improper torsion
           1
         136         114         138           6
unit ntype qqatom
         128           4  0.13200000000000001     
vibration
           1
         114           7
bending
           2
         114         102           2           1
         114         127           2           1
torsion
           4
         114         102         113          11
         114         102          89          12
         114         127         136          11
         114         127         138           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         129           8  0.70099999999999996     
vibration
           3
         139          10
         140          11
         115          12
bending
           3
         139         146          14           1
         115         103          16           1
         115         105          16           1
torsion
           6
         139         146         157           5
         139         146         158           5
         115         103          92          12
         115         103         116          12
         115         105          93          12
         115         105         117          12
angle-angle
           0
improper torsion
           1
         139         140         115           1
unit ntype qqatom
         130           5  0.25200000000000000     
vibration
           3
         141           6
         142           6
         118           9
bending
           5
         141         147          16           1
         141         148           2           1
         142         149          16           1
         142         150           2           1
         118         107          14           1
torsion
           6
         142         149         159          15
         142         149         160          11
         141         147         159          15
         141         147         161          11
         118         107         119           9
         118         107          94           9
angle-angle
           0
improper torsion
           1
         141         142         118           7
unit ntype qqatom
         131           5  2.00000000000000004E-003
vibration
           3
         143          12
         120           6
         122           6
bending
           6
         143         151          11           1
         143         152          22           1
         120         108          16           1
         120         132           2           1
         122         109          16           1
         122         133           2           1
torsion
           5
         143         151         162           9
         120         108          97          13
         120         108         121          11
         122         109          97          13
         122         109         123          11
angle-angle
           0
improper torsion
           1
         122         120         143           1
unit ntype qqatom
         132           4  0.13200000000000001     
vibration
           1
         120           7
bending
           2
         120         131           2           1
         120         108           2           1
torsion
           4
         120         131         143          12
         120         131         122          11
         120         108          97          11
         120         108         121           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         133           4  0.13200000000000001     
vibration
           1
         122           7
bending
           2
         122         131           2           1
         122         109           2           1
torsion
           4
         122         131         143          12
         122         131         120          11
         122         109          97          11
         122         109         123           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         134           7 -0.64900000000000002     
vibration
           2
         144           9
         124          10
bending
           4
         144         153          19           1
         144         154          19           1
         124         135          20           1
         124         110          11           1
torsion
           6
         144         153         163          12
         144         153         164          12
         144         154         165          12
         144         154         166          12
         124         110          98           5
         124         110         100           5
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         135           9 -0.54900000000000004     
vibration
           1
         124          11
bending
           2
         124         134          20           1
         124         110          22           1
torsion
           3
         124         134         144           9
         124         110          98           5
         124         110         100           5
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         136           5  2.00000000000000004E-003
vibration
           3
         145          12
         125           6
         127           6
bending
           6
         145         155          11           1
         145         156          22           1
         125         113          16           1
         125         137           2           1
         127         114          16           1
         127         138           2           1
torsion
           5
         145         155         167           9
         125         113         102          13
         125         113         126          11
         127         114         102          13
         127         114         128          11
angle-angle
           0
improper torsion
           1
         127         125         145           1
unit ntype qqatom
         137           4  0.13200000000000001     
vibration
           1
         125           7
bending
           2
         125         136           2           1
         125         113           2           1
torsion
           4
         125         136         145          12
         125         136         127          11
         125         113         102          11
         125         113         126           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         138           4  0.13200000000000001     
vibration
           1
         127           7
bending
           2
         127         136           2           1
         127         114           2           1
torsion
           4
         127         136         145          12
         127         136         125          11
         127         114         102          11
         127         114         128           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         139           7 -0.64900000000000002     
vibration
           2
         146           9
         129          10
bending
           4
         146         157          19           1
         146         158          19           1
         129         140          20           1
         129         115          11           1
torsion
           6
         146         157         168          12
         146         157         169          12
         146         158         170          12
         146         158         171          12
         129         115         103           5
         129         115         105           5
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         140           9 -0.54900000000000004     
vibration
           1
         129          11
bending
           2
         129         139          20           1
         129         115          22           1
torsion
           3
         129         139         146           9
         129         115         103           5
         129         115         105           5
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         141           5 -0.12800000000000000     
vibration
           3
         147           6
         130           6
         148           7
bending
           4
         147         159          16           1
         147         161           2           1
         130         142          16           1
         130         118          19           1
torsion
           5
         147         159         149          14
         147         159         172          12
         130         142         149          13
         130         142         150          11
         130         118         107           5
angle-angle
           0
improper torsion
           1
         147         130         148           6
unit ntype qqatom
         142           5 -0.12800000000000000     
vibration
           3
         149           6
         130           6
         150           7
bending
           4
         149         159          16           1
         149         160           2           1
         130         141          16           1
         130         118          19           1
torsion
           5
         149         159         147          14
         149         159         172          12
         130         141         147          13
         130         141         148          11
         130         118         107           5
angle-angle
           0
improper torsion
           1
         149         130         150           6
unit ntype qqatom
         143           8  0.70099999999999996     
vibration
           3
         151          10
         152          11
         131          12
bending
           3
         151         162          14           1
         131         120          16           1
         131         122          16           1
torsion
           6
         151         162         173           5
         151         162         174           5
         131         120         108          12
         131         120         132          12
         131         122         109          12
         131         122         133          12
angle-angle
           0
improper torsion
           1
         151         152         131           1
unit ntype qqatom
         144           5  0.25200000000000000     
vibration
           3
         153           6
         154           6
         134           9
bending
           5
         153         163          16           1
         153         164           2           1
         154         165          16           1
         154         166           2           1
         134         124          14           1
torsion
           6
         154         165         175          15
         154         165         176          11
         153         163         175          15
         153         163         177          11
         134         124         135           9
         134         124         110           9
angle-angle
           0
improper torsion
           1
         153         154         134           7
unit ntype qqatom
         145           8  0.70099999999999996     
vibration
           3
         155          10
         156          11
         136          12
bending
           3
         155         167          14           1
         136         125          16           1
         136         127          16           1
torsion
           6
         155         167         178           5
         155         167         179           5
         136         125         113          12
         136         125         137          12
         136         127         114          12
         136         127         138          12
angle-angle
           0
improper torsion
           1
         155         156         136           1
unit ntype qqatom
         146           5  0.25200000000000000     
vibration
           3
         157           6
         158           6
         139           9
bending
           5
         157         168          16           1
         157         169           2           1
         158         170          16           1
         158         171           2           1
         139         129          14           1
torsion
           6
         158         170         180          15
         158         170         181          11
         157         168         180          15
         157         168         182          11
         139         129         140           9
         139         129         115           9
angle-angle
           0
improper torsion
           1
         157         158         139           7
unit ntype qqatom
         147           5 -0.12800000000000000     
vibration
           3
         159           5
         141           6
         161           7
bending
           4
         159         149          15           1
         159         172          17           1
         141         130          16           1
         141         148           2           1
torsion
           6
         159         149         142          14
         159         149         160          12
         159         172         183           7
         159         172         184           7
         141         130         142          13
         141         130         118          12
angle-angle
           0
improper torsion
           1
         159         141         161           6
unit ntype qqatom
         148           4  0.13200000000000001     
vibration
           1
         141           7
bending
           2
         141         147           2           1
         141         130           2           1
torsion
           4
         141         147         159          12
         141         147         161           9
         141         130         142          11
         141         130         118          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         149           5 -0.12800000000000000     
vibration
           3
         159           5
         142           6
         160           7
bending
           4
         159         147          15           1
         159         172          17           1
         142         130          16           1
         142         150           2           1
torsion
           6
         159         147         141          14
         159         147         161          12
         159         172         183           7
         159         172         184           7
         142         130         141          13
         142         130         118          12
angle-angle
           0
improper torsion
           1
         159         142         160           6
unit ntype qqatom
         150           4  0.13200000000000001     
vibration
           1
         142           7
bending
           2
         142         149           2           1
         142         130           2           1
torsion
           4
         142         149         159          12
         142         149         160           9
         142         130         141          11
         142         130         118          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         151           7 -0.64900000000000002     
vibration
           2
         162           9
         143          10
bending
           4
         162         173          19           1
         162         174          19           1
         143         152          20           1
         143         131          11           1
torsion
           6
         162         173         185          12
         162         173         186          12
         162         174         187          12
         162         174         188          12
         143         131         120           5
         143         131         122           5
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         152           9 -0.54900000000000004     
vibration
           1
         143          11
bending
           2
         143         151          20           1
         143         131          22           1
torsion
           3
         143         151         162           9
         143         131         120           5
         143         131         122           5
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         153           5 -0.12800000000000000     
vibration
           3
         163           6
         144           6
         164           7
bending
           4
         163         175          16           1
         163         177           2           1
         144         154          16           1
         144         134          19           1
torsion
           5
         163         175         165          14
         163         175         189          12
         144         154         165          13
         144         154         166          11
         144         134         124           5
angle-angle
           0
improper torsion
           1
         163         144         164           6
unit ntype qqatom
         154           5 -0.12800000000000000     
vibration
           3
         165           6
         144           6
         166           7
bending
           4
         165         175          16           1
         165         176           2           1
         144         153          16           1
         144         134          19           1
torsion
           5
         165         175         163          14
         165         175         189          12
         144         153         163          13
         144         153         164          11
         144         134         124           5
angle-angle
           0
improper torsion
           1
         165         144         166           6
unit ntype qqatom
         155           7 -0.64900000000000002     
vibration
           2
         167           9
         145          10
bending
           4
         167         178          19           1
         167         179          19           1
         145         156          20           1
         145         136          11           1
torsion
           6
         167         178         190          12
         167         178         191          12
         167         179         192          12
         167         179         193          12
         145         136         125           5
         145         136         127           5
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         156           9 -0.54900000000000004     
vibration
           1
         145          11
bending
           2
         145         155          20           1
         145         136          22           1
torsion
           3
         145         155         167           9
         145         136         125           5
         145         136         127           5
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         157           5 -0.12800000000000000     
vibration
           3
         168           6
         146           6
         169           7
bending
           4
         168         180          16           1
         168         182           2           1
         146         158          16           1
         146         139          19           1
torsion
           5
         168         180         170          14
         168         180         194          12
         146         158         170          13
         146         158         171          11
         146         139         129           5
angle-angle
           0
improper torsion
           1
         168         146         169           6
unit ntype qqatom
         158           5 -0.12800000000000000     
vibration
           3
         170           6
         146           6
         171           7
bending
           4
         170         180          16           1
         170         181           2           1
         146         157          16           1
         146         139          19           1
torsion
           5
         170         180         168          14
         170         180         194          12
         146         157         168          13
         146         157         169          11
         146         139         129           5
angle-angle
           0
improper torsion
           1
         170         146         171           6
unit ntype qqatom
         159           6  2.00000000000000004E-003
vibration
           3
         149           5
         147           5
         172           8
bending
           6
         149         142          16           1
         149         160           2           1
         147         141          16           1
         147         161           2           1
         172         183          17           1
         172         184          17           1
torsion
           8
         149         142         130          15
         149         142         150          12
         147         141         130          15
         147         141         148          12
         172         183         195          12
         172         183         196          12
         172         184         197          12
         172         184         198          12
angle-angle
           0
improper torsion
           1
         149         147         172           2
unit ntype qqatom
         160           4  0.13200000000000001     
vibration
           1
         149           7
bending
           2
         149         159           2           1
         149         142           2           1
torsion
           4
         149         159         147          12
         149         159         172          12
         149         142         130          11
         149         142         150           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         161           4  0.13200000000000001     
vibration
           1
         147           7
bending
           2
         147         159           2           1
         147         141           2           1
torsion
           4
         147         159         149          12
         147         159         172          12
         147         141         130          11
         147         141         148           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         162           5  0.25200000000000000     
vibration
           3
         173           6
         174           6
         151           9
bending
           5
         173         185          16           1
         173         186           2           1
         174         187          16           1
         174         188           2           1
         151         143          14           1
torsion
           6
         174         187         199          15
         174         187         200          11
         173         185         199          15
         173         185         201          11
         151         143         152           9
         151         143         131           9
angle-angle
           0
improper torsion
           1
         173         174         151           7
unit ntype qqatom
         163           5 -0.12800000000000000     
vibration
           3
         175           5
         153           6
         177           7
bending
           4
         175         165          15           1
         175         189          17           1
         153         144          16           1
         153         164           2           1
torsion
           6
         175         165         154          14
         175         165         176          12
         175         189         202           7
         175         189         203           7
         153         144         154          13
         153         144         134          12
angle-angle
           0
improper torsion
           1
         175         153         177           6
unit ntype qqatom
         164           4  0.13200000000000001     
vibration
           1
         153           7
bending
           2
         153         163           2           1
         153         144           2           1
torsion
           4
         153         163         175          12
         153         163         177           9
         153         144         154          11
         153         144         134          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         165           5 -0.12800000000000000     
vibration
           3
         175           5
         154           6
         176           7
bending
           4
         175         163          15           1
         175         189          17           1
         154         144          16           1
         154         166           2           1
torsion
           6
         175         163         153          14
         175         163         177          12
         175         189         202           7
         175         189         203           7
         154         144         153          13
         154         144         134          12
angle-angle
           0
improper torsion
           1
         175         154         176           6
unit ntype qqatom
         166           4  0.13200000000000001     
vibration
           1
         154           7
bending
           2
         154         165           2           1
         154         144           2           1
torsion
           4
         154         165         175          12
         154         165         176           9
         154         144         153          11
         154         144         134          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         167           5  0.25200000000000000     
vibration
           3
         178           6
         179           6
         155           9
bending
           5
         178         190          16           1
         178         191           2           1
         179         192          16           1
         179         193           2           1
         155         145          14           1
torsion
           6
         179         192         204          15
         179         192         205          11
         178         190         204          15
         178         190         206          11
         155         145         156           9
         155         145         136           9
angle-angle
           0
improper torsion
           1
         178         179         155           7
unit ntype qqatom
         168           5 -0.12800000000000000     
vibration
           3
         180           5
         157           6
         182           7
bending
           4
         180         170          15           1
         180         194          17           1
         157         146          16           1
         157         169           2           1
torsion
           6
         180         170         158          14
         180         170         181          12
         180         194         207           7
         180         194         208           7
         157         146         158          13
         157         146         139          12
angle-angle
           0
improper torsion
           1
         180         157         182           6
unit ntype qqatom
         169           4  0.13200000000000001     
vibration
           1
         157           7
bending
           2
         157         168           2           1
         157         146           2           1
torsion
           4
         157         168         180          12
         157         168         182           9
         157         146         158          11
         157         146         139          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         170           5 -0.12800000000000000     
vibration
           3
         180           5
         158           6
         181           7
bending
           4
         180         168          15           1
         180         194          17           1
         158         146          16           1
         158         171           2           1
torsion
           6
         180         168         157          14
         180         168         182          12
         180         194         207           7
         180         194         208           7
         158         146         157          13
         158         146         139          12
angle-angle
           0
improper torsion
           1
         180         158         181           6
unit ntype qqatom
         171           4  0.13200000000000001     
vibration
           1
         158           7
bending
           2
         158         170           2           1
         158         146           2           1
torsion
           4
         158         170         180          12
         158         170         181           9
         158         146         157          11
         158         146         139          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         172           6  2.00000000000000004E-003
vibration
           3
         159           8
         183           5
         184           5
bending
           6
         159         149          17           1
         159         147          17           1
         183         195          16           1
         183         196           2           1
         184         197          16           1
         184         198           2           1
torsion
           8
         159         149         142          12
         159         149         160          12
         159         147         141          12
         159         147         161          12
         183         195         209          15
         183         195         210          12
         184         197         209          15
         184         197         211          12
angle-angle
           0
improper torsion
           1
         184         183         159           2
unit ntype qqatom
         173           5 -0.12800000000000000     
vibration
           3
         185           6
         162           6
         186           7
bending
           4
         185         199          16           1
         185         201           2           1
         162         174          16           1
         162         151          19           1
torsion
           5
         185         199         187          14
         185         199         212          12
         162         174         187          13
         162         174         188          11
         162         151         143           5
angle-angle
           0
improper torsion
           1
         185         162         186           6
unit ntype qqatom
         174           5 -0.12800000000000000     
vibration
           3
         187           6
         162           6
         188           7
bending
           4
         187         199          16           1
         187         200           2           1
         162         173          16           1
         162         151          19           1
torsion
           5
         187         199         185          14
         187         199         212          12
         162         173         185          13
         162         173         186          11
         162         151         143           5
angle-angle
           0
improper torsion
           1
         187         162         188           6
unit ntype qqatom
         175           6  2.00000000000000004E-003
vibration
           3
         165           5
         163           5
         189           8
bending
           6
         165         154          16           1
         165         176           2           1
         163         153          16           1
         163         177           2           1
         189         202          17           1
         189         203          17           1
torsion
           8
         165         154         144          15
         165         154         166          12
         163         153         144          15
         163         153         164          12
         189         202         213          12
         189         202         214          12
         189         203         215          12
         189         203         216          12
angle-angle
           0
improper torsion
           1
         165         163         189           2
unit ntype qqatom
         176           4  0.13200000000000001     
vibration
           1
         165           7
bending
           2
         165         175           2           1
         165         154           2           1
torsion
           4
         165         175         163          12
         165         175         189          12
         165         154         144          11
         165         154         166           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         177           4  0.13200000000000001     
vibration
           1
         163           7
bending
           2
         163         175           2           1
         163         153           2           1
torsion
           4
         163         175         165          12
         163         175         189          12
         163         153         144          11
         163         153         164           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         178           5 -0.12800000000000000     
vibration
           3
         190           6
         167           6
         191           7
bending
           4
         190         204          16           1
         190         206           2           1
         167         179          16           1
         167         155          19           1
torsion
           5
         190         204         192          14
         190         204         217          12
         167         179         192          13
         167         179         193          11
         167         155         145           5
angle-angle
           0
improper torsion
           1
         190         167         191           6
unit ntype qqatom
         179           5 -0.12800000000000000     
vibration
           3
         192           6
         167           6
         193           7
bending
           4
         192         204          16           1
         192         205           2           1
         167         178          16           1
         167         155          19           1
torsion
           5
         192         204         190          14
         192         204         217          12
         167         178         190          13
         167         178         191          11
         167         155         145           5
angle-angle
           0
improper torsion
           1
         192         167         193           6
unit ntype qqatom
         180           6  2.00000000000000004E-003
vibration
           3
         170           5
         168           5
         194           8
bending
           6
         170         158          16           1
         170         181           2           1
         168         157          16           1
         168         182           2           1
         194         207          17           1
         194         208          17           1
torsion
           8
         170         158         146          15
         170         158         171          12
         168         157         146          15
         168         157         169          12
         194         207         218          12
         194         207         219          12
         194         208         220          12
         194         208         221          12
angle-angle
           0
improper torsion
           1
         170         168         194           2
unit ntype qqatom
         181           4  0.13200000000000001     
vibration
           1
         170           7
bending
           2
         170         180           2           1
         170         158           2           1
torsion
           4
         170         180         168          12
         170         180         194          12
         170         158         146          11
         170         158         171           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         182           4  0.13200000000000001     
vibration
           1
         168           7
bending
           2
         168         180           2           1
         168         157           2           1
torsion
           4
         168         180         170          12
         168         180         194          12
         168         157         146          11
         168         157         169           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         183           5 -0.12800000000000000     
vibration
           3
         172           5
         195           6
         196           7
bending
           4
         172         159          17           1
         172         184          15           1
         195         209          16           1
         195         210           2           1
torsion
           6
         172         159         149           7
         172         159         147           7
         172         184         197          14
         172         184         198          12
         195         209         197          13
         195         209         222          11
angle-angle
           0
improper torsion
           1
         172         195         196           6
unit ntype qqatom
         184           5 -0.12800000000000000     
vibration
           3
         172           5
         197           6
         198           7
bending
           4
         172         159          17           1
         172         183          15           1
         197         209          16           1
         197         211           2           1
torsion
           6
         172         159         149           7
         172         159         147           7
         172         183         195          14
         172         183         196          12
         197         209         195          13
         197         209         222          11
angle-angle
           0
improper torsion
           1
         172         197         198           6
unit ntype qqatom
         185           5 -0.12800000000000000     
vibration
           3
         199           5
         173           6
         201           7
bending
           4
         199         187          15           1
         199         212          17           1
         173         162          16           1
         173         186           2           1
torsion
           6
         199         187         174          14
         199         187         200          12
         199         212         223           7
         199         212         224           7
         173         162         174          13
         173         162         151          12
angle-angle
           0
improper torsion
           1
         199         173         201           6
unit ntype qqatom
         186           4  0.13200000000000001     
vibration
           1
         173           7
bending
           2
         173         185           2           1
         173         162           2           1
torsion
           4
         173         185         199          12
         173         185         201           9
         173         162         174          11
         173         162         151          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         187           5 -0.12800000000000000     
vibration
           3
         199           5
         174           6
         200           7
bending
           4
         199         185          15           1
         199         212          17           1
         174         162          16           1
         174         188           2           1
torsion
           6
         199         185         173          14
         199         185         201          12
         199         212         223           7
         199         212         224           7
         174         162         173          13
         174         162         151          12
angle-angle
           0
improper torsion
           1
         199         174         200           6
unit ntype qqatom
         188           4  0.13200000000000001     
vibration
           1
         174           7
bending
           2
         174         187           2           1
         174         162           2           1
torsion
           4
         174         187         199          12
         174         187         200           9
         174         162         173          11
         174         162         151          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         189           6  2.00000000000000004E-003
vibration
           3
         175           8
         202           5
         203           5
bending
           6
         175         165          17           1
         175         163          17           1
         202         213          16           1
         202         214           2           1
         203         215          16           1
         203         216           2           1
torsion
           8
         175         165         154          12
         175         165         176          12
         175         163         153          12
         175         163         177          12
         202         213         225          15
         202         213         226          12
         203         215         225          15
         203         215         227          12
angle-angle
           0
improper torsion
           1
         203         202         175           2
unit ntype qqatom
         190           5 -0.12800000000000000     
vibration
           3
         204           5
         178           6
         206           7
bending
           4
         204         192          15           1
         204         217          17           1
         178         167          16           1
         178         191           2           1
torsion
           6
         204         192         179          14
         204         192         205          12
         204         217         228           7
         204         217         229           7
         178         167         179          13
         178         167         155          12
angle-angle
           0
improper torsion
           1
         204         178         206           6
unit ntype qqatom
         191           4  0.13200000000000001     
vibration
           1
         178           7
bending
           2
         178         190           2           1
         178         167           2           1
torsion
           4
         178         190         204          12
         178         190         206           9
         178         167         179          11
         178         167         155          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         192           5 -0.12800000000000000     
vibration
           3
         204           5
         179           6
         205           7
bending
           4
         204         190          15           1
         204         217          17           1
         179         167          16           1
         179         193           2           1
torsion
           6
         204         190         178          14
         204         190         206          12
         204         217         228           7
         204         217         229           7
         179         167         178          13
         179         167         155          12
angle-angle
           0
improper torsion
           1
         204         179         205           6
unit ntype qqatom
         193           4  0.13200000000000001     
vibration
           1
         179           7
bending
           2
         179         192           2           1
         179         167           2           1
torsion
           4
         179         192         204          12
         179         192         205           9
         179         167         178          11
         179         167         155          12
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         194           6  2.00000000000000004E-003
vibration
           3
         180           8
         207           5
         208           5
bending
           6
         180         170          17           1
         180         168          17           1
         207         218          16           1
         207         219           2           1
         208         220          16           1
         208         221           2           1
torsion
           8
         180         170         158          12
         180         170         181          12
         180         168         157          12
         180         168         182          12
         207         218         230          15
         207         218         231          12
         208         220         230          15
         208         220         232          12
angle-angle
           0
improper torsion
           1
         208         207         180           2
unit ntype qqatom
         195           5 -0.12800000000000000     
vibration
           3
         183           6
         209           6
         210           7
bending
           4
         183         172          16           1
         183         196           2           1
         209         197          16           1
         209         222           2           1
torsion
           4
         183         172         159          12
         183         172         184          14
         209         197         184          13
         209         197         211          11
angle-angle
           0
improper torsion
           1
         183         209         210           6
unit ntype qqatom
         196           4  0.13200000000000001     
vibration
           1
         183           7
bending
           2
         183         172           2           1
         183         195           2           1
torsion
           4
         183         172         159          12
         183         172         184          12
         183         195         209          11
         183         195         210           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         197           5 -0.12800000000000000     
vibration
           3
         209           6
         184           6
         211           7
bending
           4
         209         195          16           1
         209         222           2           1
         184         172          16           1
         184         198           2           1
torsion
           4
         184         172         159          12
         184         172         183          14
         209         195         183          13
         209         195         210          11
angle-angle
           0
improper torsion
           1
         209         184         211           6
unit ntype qqatom
         198           4  0.13200000000000001     
vibration
           1
         184           7
bending
           2
         184         172           2           1
         184         197           2           1
torsion
           4
         184         172         159          12
         184         172         183          12
         184         197         209          11
         184         197         211           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         199           6  2.00000000000000004E-003
vibration
           3
         187           5
         185           5
         212           8
bending
           6
         187         174          16           1
         187         200           2           1
         185         173          16           1
         185         201           2           1
         212         223          17           1
         212         224          17           1
torsion
           8
         187         174         162          15
         187         174         188          12
         185         173         162          15
         185         173         186          12
         212         223         233          12
         212         223         234          12
         212         224         235          12
         212         224         236          12
angle-angle
           0
improper torsion
           1
         187         185         212           2
unit ntype qqatom
         200           4  0.13200000000000001     
vibration
           1
         187           7
bending
           2
         187         199           2           1
         187         174           2           1
torsion
           4
         187         199         185          12
         187         199         212          12
         187         174         162          11
         187         174         188           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         201           4  0.13200000000000001     
vibration
           1
         185           7
bending
           2
         185         199           2           1
         185         173           2           1
torsion
           4
         185         199         187          12
         185         199         212          12
         185         173         162          11
         185         173         186           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         202           5 -0.12800000000000000     
vibration
           3
         189           5
         213           6
         214           7
bending
           4
         189         175          17           1
         189         203          15           1
         213         225          16           1
         213         226           2           1
torsion
           6
         189         175         165           7
         189         175         163           7
         189         203         215          14
         189         203         216          12
         213         225         215          13
         213         225         237          11
angle-angle
           0
improper torsion
           1
         189         213         214           6
unit ntype qqatom
         203           5 -0.12800000000000000     
vibration
           3
         189           5
         215           6
         216           7
bending
           4
         189         175          17           1
         189         202          15           1
         215         225          16           1
         215         227           2           1
torsion
           6
         189         175         165           7
         189         175         163           7
         189         202         213          14
         189         202         214          12
         215         225         213          13
         215         225         237          11
angle-angle
           0
improper torsion
           1
         189         215         216           6
unit ntype qqatom
         204           6  2.00000000000000004E-003
vibration
           3
         192           5
         190           5
         217           8
bending
           6
         192         179          16           1
         192         205           2           1
         190         178          16           1
         190         206           2           1
         217         228          17           1
         217         229          17           1
torsion
           8
         192         179         167          15
         192         179         193          12
         190         178         167          15
         190         178         191          12
         217         228         238          12
         217         228         239          12
         217         229         240          12
         217         229         241          12
angle-angle
           0
improper torsion
           1
         192         190         217           2
unit ntype qqatom
         205           4  0.13200000000000001     
vibration
           1
         192           7
bending
           2
         192         204           2           1
         192         179           2           1
torsion
           4
         192         204         190          12
         192         204         217          12
         192         179         167          11
         192         179         193           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         206           4  0.13200000000000001     
vibration
           1
         190           7
bending
           2
         190         204           2           1
         190         178           2           1
torsion
           4
         190         204         192          12
         190         204         217          12
         190         178         167          11
         190         178         191           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         207           5 -0.12800000000000000     
vibration
           3
         194           5
         218           6
         219           7
bending
           4
         194         180          17           1
         194         208          15           1
         218         230          16           1
         218         231           2           1
torsion
           6
         194         180         170           7
         194         180         168           7
         194         208         220          14
         194         208         221          12
         218         230         220          13
         218         230         242          11
angle-angle
           0
improper torsion
           1
         194         218         219           6
unit ntype qqatom
         208           5 -0.12800000000000000     
vibration
           3
         194           5
         220           6
         221           7
bending
           4
         194         180          17           1
         194         207          15           1
         220         230          16           1
         220         232           2           1
torsion
           6
         194         180         170           7
         194         180         168           7
         194         207         218          14
         194         207         219          12
         220         230         218          13
         220         230         242          11
angle-angle
           0
improper torsion
           1
         194         220         221           6
unit ntype qqatom
         209           5 -0.12800000000000000     
vibration
           3
         195           6
         197           6
         222           7
bending
           4
         195         183          16           1
         195         210           2           1
         197         184          16           1
         197         211           2           1
torsion
           4
         195         183         172          15
         195         183         196          11
         197         184         172          15
         197         184         198          11
angle-angle
           0
improper torsion
           1
         195         197         222           6
unit ntype qqatom
         210           4  0.13200000000000001     
vibration
           1
         195           7
bending
           2
         195         183           2           1
         195         209           2           1
torsion
           4
         195         183         172          12
         195         183         196           9
         195         209         197          11
         195         209         222           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         211           4  0.13200000000000001     
vibration
           1
         197           7
bending
           2
         197         209           2           1
         197         184           2           1
torsion
           4
         197         209         195          11
         197         209         222           9
         197         184         172          12
         197         184         198           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         212           6  2.00000000000000004E-003
vibration
           3
         199           8
         223           5
         224           5
bending
           6
         199         187          17           1
         199         185          17           1
         223         233          16           1
         223         234           2           1
         224         235          16           1
         224         236           2           1
torsion
           8
         199         187         174          12
         199         187         200          12
         199         185         173          12
         199         185         201          12
         223         233         243          15
         223         233         244          12
         224         235         243          15
         224         235         245          12
angle-angle
           0
improper torsion
           1
         224         223         199           2
unit ntype qqatom
         213           5 -0.12800000000000000     
vibration
           3
         202           6
         225           6
         226           7
bending
           4
         202         189          16           1
         202         214           2           1
         225         215          16           1
         225         237           2           1
torsion
           4
         202         189         175          12
         202         189         203          14
         225         215         203          13
         225         215         227          11
angle-angle
           0
improper torsion
           1
         202         225         226           6
unit ntype qqatom
         214           4  0.13200000000000001     
vibration
           1
         202           7
bending
           2
         202         189           2           1
         202         213           2           1
torsion
           4
         202         189         175          12
         202         189         203          12
         202         213         225          11
         202         213         226           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         215           5 -0.12800000000000000     
vibration
           3
         225           6
         203           6
         227           7
bending
           4
         225         213          16           1
         225         237           2           1
         203         189          16           1
         203         216           2           1
torsion
           4
         203         189         175          12
         203         189         202          14
         225         213         202          13
         225         213         226          11
angle-angle
           0
improper torsion
           1
         225         203         227           6
unit ntype qqatom
         216           4  0.13200000000000001     
vibration
           1
         203           7
bending
           2
         203         189           2           1
         203         215           2           1
torsion
           4
         203         189         175          12
         203         189         202          12
         203         215         225          11
         203         215         227           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         217           6  2.00000000000000004E-003
vibration
           3
         204           8
         228           5
         229           5
bending
           6
         204         192          17           1
         204         190          17           1
         228         238          16           1
         228         239           2           1
         229         240          16           1
         229         241           2           1
torsion
           8
         204         192         179          12
         204         192         205          12
         204         190         178          12
         204         190         206          12
         228         238         246          15
         228         238         247          12
         229         240         246          15
         229         240         248          12
angle-angle
           0
improper torsion
           1
         229         228         204           2
unit ntype qqatom
         218           5 -0.12800000000000000     
vibration
           3
         207           6
         230           6
         231           7
bending
           4
         207         194          16           1
         207         219           2           1
         230         220          16           1
         230         242           2           1
torsion
           4
         207         194         180          12
         207         194         208          14
         230         220         208          13
         230         220         232          11
angle-angle
           0
improper torsion
           1
         207         230         231           6
unit ntype qqatom
         219           4  0.13200000000000001     
vibration
           1
         207           7
bending
           2
         207         194           2           1
         207         218           2           1
torsion
           4
         207         194         180          12
         207         194         208          12
         207         218         230          11
         207         218         231           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         220           5 -0.12800000000000000     
vibration
           3
         230           6
         208           6
         232           7
bending
           4
         230         218          16           1
         230         242           2           1
         208         194          16           1
         208         221           2           1
torsion
           4
         208         194         180          12
         208         194         207          14
         230         218         207          13
         230         218         231          11
angle-angle
           0
improper torsion
           1
         230         208         232           6
unit ntype qqatom
         221           4  0.13200000000000001     
vibration
           1
         208           7
bending
           2
         208         194           2           1
         208         220           2           1
torsion
           4
         208         194         180          12
         208         194         207          12
         208         220         230          11
         208         220         232           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         222           4  0.13200000000000001     
vibration
           1
         209           7
bending
           2
         209         195           2           1
         209         197           2           1
torsion
           4
         209         195         183          11
         209         195         210           9
         209         197         184          11
         209         197         211           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         223           5 -0.12800000000000000     
vibration
           3
         212           5
         233           6
         234           7
bending
           4
         212         199          17           1
         212         224          15           1
         233         243          16           1
         233         244           2           1
torsion
           6
         212         199         187           7
         212         199         185           7
         212         224         235          14
         212         224         236          12
         233         243         235          13
         233         243         249          11
angle-angle
           0
improper torsion
           1
         212         233         234           6
unit ntype qqatom
         224           5 -0.12800000000000000     
vibration
           3
         212           5
         235           6
         236           7
bending
           4
         212         199          17           1
         212         223          15           1
         235         243          16           1
         235         245           2           1
torsion
           6
         212         199         187           7
         212         199         185           7
         212         223         233          14
         212         223         234          12
         235         243         233          13
         235         243         249          11
angle-angle
           0
improper torsion
           1
         212         235         236           6
unit ntype qqatom
         225           5 -0.12800000000000000     
vibration
           3
         213           6
         215           6
         237           7
bending
           4
         213         202          16           1
         213         226           2           1
         215         203          16           1
         215         227           2           1
torsion
           4
         213         202         189          15
         213         202         214          11
         215         203         189          15
         215         203         216          11
angle-angle
           0
improper torsion
           1
         213         215         237           6
unit ntype qqatom
         226           4  0.13200000000000001     
vibration
           1
         213           7
bending
           2
         213         202           2           1
         213         225           2           1
torsion
           4
         213         202         189          12
         213         202         214           9
         213         225         215          11
         213         225         237           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         227           4  0.13200000000000001     
vibration
           1
         215           7
bending
           2
         215         225           2           1
         215         203           2           1
torsion
           4
         215         225         213          11
         215         225         237           9
         215         203         189          12
         215         203         216           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         228           5 -0.12800000000000000     
vibration
           3
         217           5
         238           6
         239           7
bending
           4
         217         204          17           1
         217         229          15           1
         238         246          16           1
         238         247           2           1
torsion
           6
         217         204         192           7
         217         204         190           7
         217         229         240          14
         217         229         241          12
         238         246         240          13
         238         246         250          11
angle-angle
           0
improper torsion
           1
         217         238         239           6
unit ntype qqatom
         229           5 -0.12800000000000000     
vibration
           3
         217           5
         240           6
         241           7
bending
           4
         217         204          17           1
         217         228          15           1
         240         246          16           1
         240         248           2           1
torsion
           6
         217         204         192           7
         217         204         190           7
         217         228         238          14
         217         228         239          12
         240         246         238          13
         240         246         250          11
angle-angle
           0
improper torsion
           1
         217         240         241           6
unit ntype qqatom
         230           5 -0.12800000000000000     
vibration
           3
         218           6
         220           6
         242           7
bending
           4
         218         207          16           1
         218         231           2           1
         220         208          16           1
         220         232           2           1
torsion
           4
         218         207         194          15
         218         207         219          11
         220         208         194          15
         220         208         221          11
angle-angle
           0
improper torsion
           1
         218         220         242           6
unit ntype qqatom
         231           4  0.13200000000000001     
vibration
           1
         218           7
bending
           2
         218         207           2           1
         218         230           2           1
torsion
           4
         218         207         194          12
         218         207         219           9
         218         230         220          11
         218         230         242           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         232           4  0.13200000000000001     
vibration
           1
         220           7
bending
           2
         220         230           2           1
         220         208           2           1
torsion
           4
         220         230         218          11
         220         230         242           9
         220         208         194          12
         220         208         221           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         233           5 -0.12800000000000000     
vibration
           3
         223           6
         243           6
         244           7
bending
           4
         223         212          16           1
         223         234           2           1
         243         235          16           1
         243         249           2           1
torsion
           4
         223         212         199          12
         223         212         224          14
         243         235         224          13
         243         235         245          11
angle-angle
           0
improper torsion
           1
         223         243         244           6
unit ntype qqatom
         234           4  0.13200000000000001     
vibration
           1
         223           7
bending
           2
         223         212           2           1
         223         233           2           1
torsion
           4
         223         212         199          12
         223         212         224          12
         223         233         243          11
         223         233         244           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         235           5 -0.12800000000000000     
vibration
           3
         243           6
         224           6
         245           7
bending
           4
         243         233          16           1
         243         249           2           1
         224         212          16           1
         224         236           2           1
torsion
           4
         224         212         199          12
         224         212         223          14
         243         233         223          13
         243         233         244          11
angle-angle
           0
improper torsion
           1
         243         224         245           6
unit ntype qqatom
         236           4  0.13200000000000001     
vibration
           1
         224           7
bending
           2
         224         212           2           1
         224         235           2           1
torsion
           4
         224         212         199          12
         224         212         223          12
         224         235         243          11
         224         235         245           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         237           4  0.13200000000000001     
vibration
           1
         225           7
bending
           2
         225         213           2           1
         225         215           2           1
torsion
           4
         225         213         202          11
         225         213         226           9
         225         215         203          11
         225         215         227           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         238           5 -0.12800000000000000     
vibration
           3
         228           6
         246           6
         247           7
bending
           4
         228         217          16           1
         228         239           2           1
         246         240          16           1
         246         250           2           1
torsion
           4
         228         217         204          12
         228         217         229          14
         246         240         229          13
         246         240         248          11
angle-angle
           0
improper torsion
           1
         228         246         247           6
unit ntype qqatom
         239           4  0.13200000000000001     
vibration
           1
         228           7
bending
           2
         228         217           2           1
         228         238           2           1
torsion
           4
         228         217         204          12
         228         217         229          12
         228         238         246          11
         228         238         247           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         240           5 -0.12800000000000000     
vibration
           3
         246           6
         229           6
         248           7
bending
           4
         246         238          16           1
         246         250           2           1
         229         217          16           1
         229         241           2           1
torsion
           4
         229         217         204          12
         229         217         228          14
         246         238         228          13
         246         238         247          11
angle-angle
           0
improper torsion
           1
         246         229         248           6
unit ntype qqatom
         241           4  0.13200000000000001     
vibration
           1
         229           7
bending
           2
         229         217           2           1
         229         240           2           1
torsion
           4
         229         217         204          12
         229         217         228          12
         229         240         246          11
         229         240         248           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         242           4  0.13200000000000001     
vibration
           1
         230           7
bending
           2
         230         218           2           1
         230         220           2           1
torsion
           4
         230         218         207          11
         230         218         231           9
         230         220         208          11
         230         220         232           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         243           5 -0.12800000000000000     
vibration
           3
         233           6
         235           6
         249           7
bending
           4
         233         223          16           1
         233         244           2           1
         235         224          16           1
         235         245           2           1
torsion
           4
         233         223         212          15
         233         223         234          11
         235         224         212          15
         235         224         236          11
angle-angle
           0
improper torsion
           1
         233         235         249           6
unit ntype qqatom
         244           4  0.13200000000000001     
vibration
           1
         233           7
bending
           2
         233         223           2           1
         233         243           2           1
torsion
           4
         233         223         212          12
         233         223         234           9
         233         243         235          11
         233         243         249           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         245           4  0.13200000000000001     
vibration
           1
         235           7
bending
           2
         235         243           2           1
         235         224           2           1
torsion
           4
         235         243         233          11
         235         243         249           9
         235         224         212          12
         235         224         236           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         246           5 -0.12800000000000000     
vibration
           3
         238           6
         240           6
         250           7
bending
           4
         238         228          16           1
         238         247           2           1
         240         229          16           1
         240         248           2           1
torsion
           4
         238         228         217          15
         238         228         239          11
         240         229         217          15
         240         229         241          11
angle-angle
           0
improper torsion
           1
         238         240         250           6
unit ntype qqatom
         247           4  0.13200000000000001     
vibration
           1
         238           7
bending
           2
         238         228           2           1
         238         246           2           1
torsion
           4
         238         228         217          12
         238         228         239           9
         238         246         240          11
         238         246         250           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         248           4  0.13200000000000001     
vibration
           1
         240           7
bending
           2
         240         246           2           1
         240         229           2           1
torsion
           4
         240         246         238          11
         240         246         250           9
         240         229         217          12
         240         229         241           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         249           4  0.13200000000000001     
vibration
           1
         243           7
bending
           2
         243         233           2           1
         243         235           2           1
torsion
           4
         243         233         223          11
         243         233         244           9
         243         235         224          11
         243         235         245           9
angle-angle
           0
improper torsion
           0
unit ntype qqatom
         250           4  0.13200000000000001     
vibration
           1
         246           7
bending
           2
         246         238           2           1
         246         240           2           1
torsion
           4
         246         238         228          11
         246         238         247           9
         246         240         229          11
         246         240         248           9
angle-angle
           0
improper torsion
           0
