; Set combination rules for NB parameters and fudge factors     for 14 interactions

[ defaults ]
; NBFUNC    COMB-RULE       GEN-PAIRS  FUDGELJ      FUDGEQQ
1           2               YES        0.5000       0.8333


; Atomic types, masses and charges (au) are defined below
; N.B.: use maxwarn 100 to ignore 'Overriding atomtypes'  
; N.B: SIGMA is in nm and EPSILON in kj mol-1             

[ atomtypes ]
;NAME   AT.NUM  MASS     CHARGE  PTYPE  SIGMA   EPSILON
ca         6    12.010    -0.226   A     0.3315   0.4134
ha         1     1.008     0.141   A     0.2625   0.0674
ca         6    12.010    -0.226   A     0.3315   0.4134
ha         1     1.008     0.141   A     0.2625   0.0674
c3         6    12.010     0.034   A     0.3398   0.4510
hc         1     1.008     0.064   A     0.2600   0.0870
hc         1     1.008     0.064   A     0.2600   0.0870
c3         6    12.010     0.023   A     0.3398   0.4510
h1         1     1.008     0.029   A     0.2422   0.0870
h1         1     1.008     0.029   A     0.2422   0.0870
c3         6    12.010     0.023   A     0.3398   0.4510
h1         1     1.008     0.029   A     0.2422   0.0870
h1         1     1.008     0.029   A     0.2422   0.0870
ca         6    12.010    -0.226   A     0.3315   0.4134
ha         1     1.008     0.141   A     0.2625   0.0674
ca         6    12.010    -0.226   A     0.3315   0.4134
ha         1     1.008     0.141   A     0.2625   0.0674
c3         6    12.010     0.034   A     0.3398   0.4510
hc         1     1.008     0.064   A     0.2600   0.0870
hc         1     1.008     0.064   A     0.2600   0.0870
c3         6    12.010     0.023   A     0.3398   0.4510
h1         1     1.008     0.029   A     0.2422   0.0870
h1         1     1.008     0.029   A     0.2422   0.0870
c3         6    12.010     0.023   A     0.3398   0.4510
h1         1     1.008     0.028   A     0.2422   0.0870
h1         1     1.008     0.028   A     0.2422   0.0870
ca         6    12.010    -0.226   A     0.3315   0.4134
ha         1     1.008     0.141   A     0.2625   0.0674
ca         6    12.010    -0.227   A     0.3315   0.4134
ha         1     1.008     0.141   A     0.2625   0.0674
c3         6    12.010     0.034   A     0.3398   0.4510
hc         1     1.008     0.064   A     0.2600   0.0870
hc         1     1.008     0.064   A     0.2600   0.0870
c3         6    12.010     0.024   A     0.3398   0.4510
h1         1     1.008     0.029   A     0.2422   0.0870
h1         1     1.008     0.029   A     0.2422   0.0870
c3         6    12.010     0.023   A     0.3398   0.4510
h1         1     1.008     0.029   A     0.2422   0.0870
h1         1     1.008     0.029   A     0.2422   0.0870
ca         6    12.010    -0.226   A     0.3315   0.4134
ha         1     1.008     0.141   A     0.2625   0.0674
ca         6    12.010    -0.227   A     0.3315   0.4134
ha         1     1.008     0.141   A     0.2625   0.0674
c3         6    12.010     0.034   A     0.3398   0.4510
hc         1     1.008     0.064   A     0.2600   0.0870
hc         1     1.008     0.064   A     0.2600   0.0870
c3         6    12.010     0.023   A     0.3398   0.4510
h1         1     1.008     0.029   A     0.2422   0.0870
h1         1     1.008     0.029   A     0.2422   0.0870
c3         6    12.010     0.023   A     0.3398   0.4510
h1         1     1.008     0.029   A     0.2422   0.0870
h1         1     1.008     0.029   A     0.2422   0.0870
ca         6    12.010    -0.227   A     0.3315   0.4134
ha         1     1.008     0.141   A     0.2625   0.0674
ca         6    12.010    -0.226   A     0.3315   0.4134
ha         1     1.008     0.141   A     0.2625   0.0674
c3         6    12.010     0.034   A     0.3398   0.4510
hc         1     1.008     0.064   A     0.2600   0.0870
hc         1     1.008     0.064   A     0.2600   0.0870
c3         6    12.010     0.024   A     0.3398   0.4510
h1         1     1.008     0.029   A     0.2422   0.0870
h1         1     1.008     0.029   A     0.2422   0.0870
c3         6    12.010     0.023   A     0.3398   0.4510
h1         1     1.008     0.028   A     0.2422   0.0870
h1         1     1.008     0.028   A     0.2422   0.0870
ca         6    12.010    -0.227   A     0.3315   0.4134
ha         1     1.008     0.141   A     0.2625   0.0674
ca         6    12.010    -0.227   A     0.3315   0.4134
ha         1     1.008     0.141   A     0.2625   0.0674
c3         6    12.010     0.034   A     0.3398   0.4510
hc         1     1.008     0.064   A     0.2600   0.0870
hc         1     1.008     0.064   A     0.2600   0.0870
c3         6    12.010     0.023   A     0.3398   0.4510
h1         1     1.008     0.029   A     0.2422   0.0870
h1         1     1.008     0.029   A     0.2422   0.0870
c3         6    12.010     0.023   A     0.3398   0.4510
h1         1     1.008     0.029   A     0.2422   0.0870
h1         1     1.008     0.029   A     0.2422   0.0870
ca         6    12.010     0.349   A     0.3315   0.4134
ca         6    12.010    -0.139   A     0.3315   0.4134
os         8    16.000    -0.451   A     0.3156   0.3038
ca         6    12.010     0.349   A     0.3315   0.4134
ca         6    12.010    -0.139   A     0.3315   0.4134
os         8    16.000    -0.450   A     0.3156   0.3038
c          6    12.010     0.763   A     0.3315   0.4134
o          8    16.000    -0.800   A     0.3048   0.6121
o          8    16.000    -0.800   A     0.3048   0.6121
c          6    12.010     0.763   A     0.3315   0.4134
o          8    16.000    -0.800   A     0.3048   0.6121
o          8    16.000    -0.800   A     0.3048   0.6121
ca         6    12.010     0.349   A     0.3315   0.4134
ca         6    12.010    -0.139   A     0.3315   0.4134
os         8    16.000    -0.450   A     0.3156   0.3038
ca         6    12.010     0.349   A     0.3315   0.4134
ca         6    12.010    -0.139   A     0.3315   0.4134
os         8    16.000    -0.450   A     0.3156   0.3038
c          6    12.010     0.763   A     0.3315   0.4134
o          8    16.000    -0.800   A     0.3048   0.6121
o          8    16.000    -0.800   A     0.3048   0.6121
c          6    12.010     0.763   A     0.3315   0.4134
o          8    16.000    -0.800   A     0.3048   0.6121
o          8    16.000    -0.800   A     0.3048   0.6121
ca         6    12.010     0.349   A     0.3315   0.4134
ca         6    12.010    -0.139   A     0.3315   0.4134
os         8    16.000    -0.450   A     0.3156   0.3038
ca         6    12.010     0.349   A     0.3315   0.4134
ca         6    12.010    -0.139   A     0.3315   0.4134
os         8    16.000    -0.450   A     0.3156   0.3038
c          6    12.010     0.763   A     0.3315   0.4134
o          8    16.000    -0.800   A     0.3048   0.6121
o          8    16.000    -0.800   A     0.3048   0.6121
c          6    12.010     0.763   A     0.3315   0.4134
o          8    16.000    -0.800   A     0.3048   0.6121
o          8    16.000    -0.800   A     0.3048   0.6121
ca         6    12.010     0.349   A     0.3315   0.4134
ca         6    12.010    -0.139   A     0.3315   0.4134
os         8    16.000    -0.450   A     0.3156   0.3038
ca         6    12.010     0.349   A     0.3315   0.4134
ca         6    12.010    -0.139   A     0.3315   0.4134
os         8    16.000    -0.450   A     0.3156   0.3038
c          6    12.010     0.763   A     0.3315   0.4134
o          8    16.000    -0.800   A     0.3048   0.6121
o          8    16.000    -0.800   A     0.3048   0.6121
c          6    12.010     0.763   A     0.3315   0.4134
o          8    16.000    -0.800   A     0.3048   0.6121
o          8    16.000    -0.800   A     0.3048   0.6121
ca         6    12.010     0.349   A     0.3315   0.4134
ca         6    12.010    -0.140   A     0.3315   0.4134
os         8    16.000    -0.450   A     0.3156   0.3038
ca         6    12.010     0.349   A     0.3315   0.4134
ca         6    12.010    -0.139   A     0.3315   0.4134
os         8    16.000    -0.450   A     0.3156   0.3038
c          6    12.010     0.763   A     0.3315   0.4134
o          8    16.000    -0.800   A     0.3048   0.6121
o          8    16.000    -0.800   A     0.3048   0.6121
c          6    12.010     0.763   A     0.3315   0.4134
o          8    16.000    -0.800   A     0.3048   0.6121
o          8    16.000    -0.800   A     0.3048   0.6121
ca         6    12.010     0.349   A     0.3315   0.4134
ca         6    12.010    -0.139   A     0.3315   0.4134
os         8    16.000    -0.449   A     0.3156   0.3038
ca         6    12.010     0.350   A     0.3315   0.4134
ca         6    12.010    -0.139   A     0.3315   0.4134
os         8    16.000    -0.449   A     0.3156   0.3038
c          6    12.010     0.763   A     0.3315   0.4134
o          8    16.000    -0.800   A     0.3048   0.6121
o          8    16.000    -0.800   A     0.3048   0.6121
c          6    12.010     0.763   A     0.3315   0.4134
o          8    16.000    -0.800   A     0.3048   0.6121
o          8    16.000    -0.800   A     0.3048   0.6121


; Molecule topology/parameters starts below
[ moleculetype ]
; Name               nrexcl
  name-p                  3 


; Atomic types, pdb names  and groups are defined below

[ atoms ]
;AT.NUM   TYPE   RESID   RESNAME PDB-NAME  IGRP    CHRGE    MASS
     1     ca       1      LIG     c01      1    -0.2260    12.0100
     2     ha       1      LIG     h01      1     0.1410     1.0080
     3     ca       1      LIG     c02      2    -0.2260    12.0100
     4     ha       1      LIG     h02      2     0.1410     1.0080
     5     c3       1      LIG     c03      3     0.0340    12.0100
     6     hc       1      LIG     h03      3     0.0640     1.0080
     7     hc       1      LIG     h04      3     0.0640     1.0080
     8     c3       1      LIG     c04      4     0.0230    12.0100
     9     h1       1      LIG     h05      4     0.0290     1.0080
    10     h1       1      LIG     h06      4     0.0290     1.0080
    11     c3       1      LIG     c05      5     0.0230    12.0100
    12     h1       1      LIG     h07      5     0.0290     1.0080
    13     h1       1      LIG     h08      5     0.0290     1.0080
    14     ca       1      LIG     c06      6    -0.2260    12.0100
    15     ha       1      LIG     h09      6     0.1410     1.0080
    16     ca       1      LIG     c07      7    -0.2260    12.0100
    17     ha       1      LIG     h10      7     0.1410     1.0080
    18     c3       1      LIG     c08      8     0.0340    12.0100
    19     hc       1      LIG     h11      8     0.0640     1.0080
    20     hc       1      LIG     h12      8     0.0640     1.0080
    21     c3       1      LIG     c09      9     0.0230    12.0100
    22     h1       1      LIG     h13      9     0.0290     1.0080
    23     h1       1      LIG     h14      9     0.0290     1.0080
    24     c3       1      LIG     c10     10     0.0230    12.0100
    25     h1       1      LIG     h15     10     0.0280     1.0080
    26     h1       1      LIG     h16     10     0.0280     1.0080
    27     ca       1      LIG     c11     11    -0.2260    12.0100
    28     ha       1      LIG     h17     11     0.1410     1.0080
    29     ca       1      LIG     c12     12    -0.2270    12.0100
    30     ha       1      LIG     h18     12     0.1410     1.0080
    31     c3       1      LIG     c13     13     0.0340    12.0100
    32     hc       1      LIG     h19     13     0.0640     1.0080
    33     hc       1      LIG     h20     13     0.0640     1.0080
    34     c3       1      LIG     c14     14     0.0240    12.0100
    35     h1       1      LIG     h21     14     0.0290     1.0080
    36     h1       1      LIG     h22     14     0.0290     1.0080
    37     c3       1      LIG     c15     15     0.0230    12.0100
    38     h1       1      LIG     h23     15     0.0290     1.0080
    39     h1       1      LIG     h24     15     0.0290     1.0080
    40     ca       1      LIG     c16     16    -0.2260    12.0100
    41     ha       1      LIG     h25     16     0.1410     1.0080
    42     ca       1      LIG     c17     17    -0.2270    12.0100
    43     ha       1      LIG     h26     17     0.1410     1.0080
    44     c3       1      LIG     c18     18     0.0340    12.0100
    45     hc       1      LIG     h27     18     0.0640     1.0080
    46     hc       1      LIG     h28     18     0.0640     1.0080
    47     c3       1      LIG     c19     19     0.0230    12.0100
    48     h1       1      LIG     h29     19     0.0290     1.0080
    49     h1       1      LIG     h30     19     0.0290     1.0080
    50     c3       1      LIG     c20     20     0.0230    12.0100
    51     h1       1      LIG     h31     20     0.0290     1.0080
    52     h1       1      LIG     h32     20     0.0290     1.0080
    53     ca       1      LIG     c21     21    -0.2270    12.0100
    54     ha       1      LIG     h33     21     0.1410     1.0080
    55     ca       1      LIG     c22     22    -0.2260    12.0100
    56     ha       1      LIG     h34     22     0.1410     1.0080
    57     c3       1      LIG     c23     23     0.0340    12.0100
    58     hc       1      LIG     h35     23     0.0640     1.0080
    59     hc       1      LIG     h36     23     0.0640     1.0080
    60     c3       1      LIG     c24     24     0.0240    12.0100
    61     h1       1      LIG     h37     24     0.0290     1.0080
    62     h1       1      LIG     h38     24     0.0290     1.0080
    63     c3       1      LIG     c25     25     0.0230    12.0100
    64     h1       1      LIG     h39     25     0.0280     1.0080
    65     h1       1      LIG     h40     25     0.0280     1.0080
    66     ca       1      LIG     c26     26    -0.2270    12.0100
    67     ha       1      LIG     h41     26     0.1410     1.0080
    68     ca       1      LIG     c27     27    -0.2270    12.0100
    69     ha       1      LIG     h42     27     0.1410     1.0080
    70     c3       1      LIG     c28     28     0.0340    12.0100
    71     hc       1      LIG     h43     28     0.0640     1.0080
    72     hc       1      LIG     h44     28     0.0640     1.0080
    73     c3       1      LIG     c29     29     0.0230    12.0100
    74     h1       1      LIG     h45     29     0.0290     1.0080
    75     h1       1      LIG     h46     29     0.0290     1.0080
    76     c3       1      LIG     c30     30     0.0230    12.0100
    77     h1       1      LIG     h47     30     0.0290     1.0080
    78     h1       1      LIG     h48     30     0.0290     1.0080
    79     ca       1      LIG     c31     31     0.3490    12.0100
    80     ca       1      LIG     c32     31    -0.1390    12.0100
    81     os       1      LIG     o33     31    -0.4510    16.0000
    82     ca       1      LIG     c34     32     0.3490    12.0100
    83     ca       1      LIG     c35     32    -0.1390    12.0100
    84     os       1      LIG     o36     32    -0.4500    16.0000
    85     c        1      LIG     c37     33     0.7635    12.0100
    86     o        1      LIG     o38     33    -0.8000    16.0000
    87     o        1      LIG     o39     33    -0.8000    16.0000
    88     c        1      LIG     c40     34     0.7635    12.0100
    89     o        1      LIG     o41     34    -0.8000    16.0000
    90     o        1      LIG     o42     34    -0.8000    16.0000
    91     ca       1      LIG     c43     35     0.3490    12.0100
    92     ca       1      LIG     c44     35    -0.1390    12.0100
    93     os       1      LIG     o45     35    -0.4500    16.0000
    94     ca       1      LIG     c46     36     0.3490    12.0100
    95     ca       1      LIG     c47     36    -0.1390    12.0100
    96     os       1      LIG     o48     36    -0.4500    16.0000
    97     c        1      LIG     c49     37     0.7635    12.0100
    98     o        1      LIG     o50     37    -0.8000    16.0000
    99     o        1      LIG     o51     37    -0.8000    16.0000
   100     c        1      LIG     c52     38     0.7635    12.0100
   101     o        1      LIG     o53     38    -0.8000    16.0000
   102     o        1      LIG     o54     38    -0.8000    16.0000
   103     ca       1      LIG     c55     39     0.3490    12.0100
   104     ca       1      LIG     c56     39    -0.1390    12.0100
   105     os       1      LIG     o57     39    -0.4500    16.0000
   106     ca       1      LIG     c58     40     0.3490    12.0100
   107     ca       1      LIG     c59     40    -0.1390    12.0100
   108     os       1      LIG     o60     40    -0.4500    16.0000
   109     c        1      LIG     c61     41     0.7635    12.0100
   110     o        1      LIG     o62     41    -0.8000    16.0000
   111     o        1      LIG     o63     41    -0.8000    16.0000
   112     c        1      LIG     c64     42     0.7635    12.0100
   113     o        1      LIG     o65     42    -0.8000    16.0000
   114     o        1      LIG     o66     42    -0.8000    16.0000
   115     ca       1      LIG     c67     43     0.3490    12.0100
   116     ca       1      LIG     c68     43    -0.1390    12.0100
   117     os       1      LIG     o69     43    -0.4500    16.0000
   118     ca       1      LIG     c70     44     0.3490    12.0100
   119     ca       1      LIG     c71     44    -0.1390    12.0100
   120     os       1      LIG     o72     44    -0.4500    16.0000
   121     c        1      LIG     c73     45     0.7635    12.0100
   122     o        1      LIG     o74     45    -0.8000    16.0000
   123     o        1      LIG     o75     45    -0.8000    16.0000
   124     c        1      LIG     c76     46     0.7635    12.0100
   125     o        1      LIG     o77     46    -0.8000    16.0000
   126     o        1      LIG     o78     46    -0.8000    16.0000
   127     ca       1      LIG     c79     47     0.3490    12.0100
   128     ca       1      LIG     c80     47    -0.1400    12.0100
   129     os       1      LIG     o81     47    -0.4500    16.0000
   130     ca       1      LIG     c82     48     0.3490    12.0100
   131     ca       1      LIG     c83     48    -0.1390    12.0100
   132     os       1      LIG     o84     48    -0.4500    16.0000
   133     c        1      LIG     c85     49     0.7635    12.0100
   134     o        1      LIG     o86     49    -0.8000    16.0000
   135     o        1      LIG     o87     49    -0.8000    16.0000
   136     c        1      LIG     c88     50     0.7635    12.0100
   137     o        1      LIG     o89     50    -0.8000    16.0000
   138     o        1      LIG     o90     50    -0.8000    16.0000
   139     ca       1      LIG     c91     51     0.3490    12.0100
   140     ca       1      LIG     c92     51    -0.1390    12.0100
   141     os       1      LIG     o93     51    -0.4490    16.0000
   142     ca       1      LIG     c94     52     0.3500    12.0100
   143     ca       1      LIG     c95     52    -0.1390    12.0100
   144     os       1      LIG     o96     52    -0.4490    16.0000
   145     c        1      LIG     c97     53     0.7635    12.0100
   146     o        1      LIG     o98     53    -0.8000    16.0000
   147     o        1      LIG     o99     53    -0.8000    16.0000
   148     c        1      LIG     c100    54     0.7635    12.0100
   149     o        1      LIG     o101    54    -0.8000    16.0000
   150     o        1      LIG     o102    54    -0.8000    16.0000


; Stretching parameters are defined below

[ bonds ]
;   I1    I2  TYPE      r0(nm)   K(kJ/nm^2/mol) 
     1    79     1      0.1398     158393.689
     1    83     1      0.1398     158393.689
     1     2     1      0.1086     165569.249
     3    82     1      0.1398     158393.689
     3    80     1      0.1398     158393.689
     3     4     1      0.1086     165569.249
     5    80     1      0.1516     104733.888
     5    95     1      0.1516     104733.888
     5     6     1      0.1097     157284.929
     5     7     1      0.1097     157284.929
     8    81     1      0.1432     119143.584
     8    85     1      0.1524     101763.248
     8     9     1      0.1097     157284.929
     8    10     1      0.1097     157284.929
    11    84     1      0.1432     119143.584
    11    88     1      0.1524     101763.248
    11    12     1      0.1097     157284.929
    11    13     1      0.1097     157284.929
    14    91     1      0.1398     158393.689
    14    95     1      0.1398     158393.689
    14    15     1      0.1086     165569.249
    16    94     1      0.1398     158393.689
    16    92     1      0.1398     158393.689
    16    17     1      0.1086     165569.249
    18    92     1      0.1516     104733.888
    18   107     1      0.1516     104733.888
    18    19     1      0.1097     157284.929
    18    20     1      0.1097     157284.929
    21    93     1      0.1432     119143.584
    21    97     1      0.1524     101763.248
    21    22     1      0.1097     157284.929
    21    23     1      0.1097     157284.929
    24    96     1      0.1432     119143.584
    24   100     1      0.1524     101763.248
    24    25     1      0.1097     157284.929
    24    26     1      0.1097     157284.929
    27   103     1      0.1398     158393.689
    27   107     1      0.1398     158393.689
    27    28     1      0.1086     165569.249
    29   106     1      0.1398     158393.689
    29   104     1      0.1398     158393.689
    29    30     1      0.1086     165569.249
    31   104     1      0.1516     104733.888
    31   119     1      0.1516     104733.888
    31    32     1      0.1097     157284.929
    31    33     1      0.1097     157284.929
    34   105     1      0.1432     119143.584
    34   109     1      0.1524     101763.248
    34    35     1      0.1097     157284.929
    34    36     1      0.1097     157284.929
    37   108     1      0.1432     119143.584
    37   112     1      0.1524     101763.248
    37    38     1      0.1097     157284.929
    37    39     1      0.1097     157284.929
    40   115     1      0.1398     158393.689
    40   119     1      0.1398     158393.689
    40    41     1      0.1086     165569.249
    42   118     1      0.1398     158393.689
    42   116     1      0.1398     158393.689
    42    43     1      0.1086     165569.249
    44   116     1      0.1516     104733.888
    44   131     1      0.1516     104733.888
    44    45     1      0.1097     157284.929
    44    46     1      0.1097     157284.929
    47   117     1      0.1432     119143.584
    47   121     1      0.1524     101763.248
    47    48     1      0.1097     157284.929
    47    49     1      0.1097     157284.929
    50   120     1      0.1432     119143.584
    50   124     1      0.1524     101763.248
    50    51     1      0.1097     157284.929
    50    52     1      0.1097     157284.929
    53   127     1      0.1398     158393.689
    53   131     1      0.1398     158393.689
    53    54     1      0.1086     165569.249
    55   130     1      0.1398     158393.689
    55   128     1      0.1398     158393.689
    55    56     1      0.1086     165569.249
    57   128     1      0.1516     104733.888
    57   143     1      0.1516     104733.888
    57    58     1      0.1097     157284.929
    57    59     1      0.1097     157284.929
    60   129     1      0.1432     119143.584
    60   133     1      0.1524     101763.248
    60    61     1      0.1097     157284.929
    60    62     1      0.1097     157284.929
    63   132     1      0.1432     119143.584
    63   136     1      0.1524     101763.248
    63    64     1      0.1097     157284.929
    63    65     1      0.1097     157284.929
    66   139     1      0.1398     158393.689
    66   143     1      0.1398     158393.689
    66    67     1      0.1086     165569.249
    68   142     1      0.1398     158393.689
    68   140     1      0.1398     158393.689
    68    69     1      0.1086     165569.249
    70    83     1      0.1516     104733.888
    70   140     1      0.1516     104733.888
    70    71     1      0.1097     157284.929
    70    72     1      0.1097     157284.929
    73   141     1      0.1432     119143.584
    73   145     1      0.1524     101763.248
    73    74     1      0.1097     157284.929
    73    75     1      0.1097     157284.929
    76   144     1      0.1432     119143.584
    76   148     1      0.1524     101763.248
    76    77     1      0.1097     157284.929
    76    78     1      0.1097     157284.929
    79    80     1      0.1398     158393.689
    79    81     1      0.1370     149590.553
    82    83     1      0.1398     158393.689
    82    84     1      0.1370     149590.553
    85    86     1      0.1218     273035.289
    85    87     1      0.1218     273035.289
    88    89     1      0.1218     273035.289
    88    90     1      0.1218     273035.289
    91    92     1      0.1398     158393.689
    91    93     1      0.1370     149590.553
    94    95     1      0.1398     158393.689
    94    96     1      0.1370     149590.553
    97    98     1      0.1218     273035.289
    97    99     1      0.1218     273035.289
   100   101     1      0.1218     273035.289
   100   102     1      0.1218     273035.289
   103   104     1      0.1398     158393.689
   103   105     1      0.1370     149590.553
   106   107     1      0.1398     158393.689
   106   108     1      0.1370     149590.553
   109   110     1      0.1218     273035.289
   109   111     1      0.1218     273035.289
   112   113     1      0.1218     273035.289
   112   114     1      0.1218     273035.289
   115   116     1      0.1398     158393.689
   115   117     1      0.1370     149590.553
   118   119     1      0.1398     158393.689
   118   120     1      0.1370     149590.553
   121   122     1      0.1218     273035.289
   121   123     1      0.1218     273035.289
   124   125     1      0.1218     273035.289
   124   126     1      0.1218     273035.289
   127   128     1      0.1398     158393.689
   127   129     1      0.1370     149590.553
   130   131     1      0.1398     158393.689
   130   132     1      0.1370     149590.553
   133   134     1      0.1218     273035.289
   133   135     1      0.1218     273035.289
   136   137     1      0.1218     273035.289
   136   138     1      0.1218     273035.289
   139   140     1      0.1398     158393.689
   139   141     1      0.1370     149590.553
   142   143     1      0.1398     158393.689
   142   144     1      0.1370     149590.553
   145   146     1      0.1218     273035.289
   145   147     1      0.1218     273035.289
   148   149     1      0.1218     273035.289
   148   150     1      0.1218     273035.289


; Bending parameters are defined below

[ angles ]
;   I1    I2    I3  TYPE    theta(deg)  K(kJ/rad^2/mol)
     1    79    80     1      120.02      287.72113
     1    79    81     1      119.20      365.21718
     1    83    82     1      120.02      287.72113
     1    83    70     1      120.77      274.39927
     2     1    79     1      119.88      203.67712
     2     1    83     1      119.88      203.67712
     3    82    83     1      120.02      287.72113
     3    82    84     1      119.20      365.21718
     3    80    79     1      120.02      287.72113
     3    80     5     1      120.77      274.39927
     4     3    82     1      119.88      203.67712
     4     3    80     1      119.88      203.67712
     5    80    79     1      120.77      274.39927
     5    95    94     1      120.77      274.39927
     5    95    14     1      120.77      274.39927
     6     5    80     1      110.47      197.82370
     6     5    95     1      110.47      197.82370
     6     5     7     1      107.58      163.00864
     7     5    80     1      110.47      197.82370
     7     5    95     1      110.47      197.82370
     8    81    79     1      117.96      276.57495
     8    85    86     1      123.20      353.76557
     8    85    87     1      123.20      353.76557
     9     8    81     1      109.78      260.98537
     9     8    85     1      108.22      198.86970
     9     8    10     1      108.46      162.34757
    10     8    81     1      109.78      260.98537
    10     8    85     1      108.22      198.86970
    11    84    82     1      117.96      276.57495
    11    88    89     1      123.20      353.76557
    11    88    90     1      123.20      353.76557
    12    11    84     1      109.78      260.98537
    12    11    88     1      108.22      198.86970
    12    11    13     1      108.46      162.34757
    13    11    84     1      109.78      260.98537
    13    11    88     1      108.22      198.86970
    14    91    92     1      120.02      287.72113
    14    91    93     1      119.20      365.21718
    14    95    94     1      120.02      287.72113
    15    14    91     1      119.88      203.67712
    15    14    95     1      119.88      203.67712
    16    94    95     1      120.02      287.72113
    16    94    96     1      119.20      365.21718
    16    92    91     1      120.02      287.72113
    16    92    18     1      120.77      274.39927
    17    16    94     1      119.88      203.67712
    17    16    92     1      119.88      203.67712
    18    92    91     1      120.77      274.39927
    18   107   106     1      120.77      274.39927
    18   107    27     1      120.77      274.39927
    19    18    92     1      110.47      197.82370
    19    18   107     1      110.47      197.82370
    19    18    20     1      107.58      163.00864
    20    18    92     1      110.47      197.82370
    20    18   107     1      110.47      197.82370
    21    93    91     1      117.96      276.57495
    21    97    98     1      123.20      353.76557
    21    97    99     1      123.20      353.76557
    22    21    93     1      109.78      260.98537
    22    21    97     1      108.22      198.86970
    22    21    23     1      108.46      162.34757
    23    21    93     1      109.78      260.98537
    23    21    97     1      108.22      198.86970
    24    96    94     1      117.96      276.57495
    24   100   101     1      123.20      353.76557
    24   100   102     1      123.20      353.76557
    25    24    96     1      109.78      260.98537
    25    24   100     1      108.22      198.86970
    25    24    26     1      108.46      162.34757
    26    24    96     1      109.78      260.98537
    26    24   100     1      108.22      198.86970
    27   103   104     1      120.02      287.72113
    27   103   105     1      119.20      365.21718
    27   107   106     1      120.02      287.72113
    28    27   103     1      119.88      203.67712
    28    27   107     1      119.88      203.67712
    29   106   107     1      120.02      287.72113
    29   106   108     1      119.20      365.21718
    29   104   103     1      120.02      287.72113
    29   104    31     1      120.77      274.39927
    30    29   106     1      119.88      203.67712
    30    29   104     1      119.88      203.67712
    31   104   103     1      120.77      274.39927
    31   119   118     1      120.77      274.39927
    31   119    40     1      120.77      274.39927
    32    31   104     1      110.47      197.82370
    32    31   119     1      110.47      197.82370
    32    31    33     1      107.58      163.00864
    33    31   104     1      110.47      197.82370
    33    31   119     1      110.47      197.82370
    34   105   103     1      117.96      276.57495
    34   109   110     1      123.20      353.76557
    34   109   111     1      123.20      353.76557
    35    34   105     1      109.78      260.98537
    35    34   109     1      108.22      198.86970
    35    34    36     1      108.46      162.34757
    36    34   105     1      109.78      260.98537
    36    34   109     1      108.22      198.86970
    37   108   106     1      117.96      276.57495
    37   112   113     1      123.20      353.76557
    37   112   114     1      123.20      353.76557
    38    37   108     1      109.78      260.98537
    38    37   112     1      108.22      198.86970
    38    37    39     1      108.46      162.34757
    39    37   108     1      109.78      260.98537
    39    37   112     1      108.22      198.86970
    40   115   116     1      120.02      287.72113
    40   115   117     1      119.20      365.21718
    40   119   118     1      120.02      287.72113
    41    40   115     1      119.88      203.67712
    41    40   119     1      119.88      203.67712
    42   118   119     1      120.02      287.72113
    42   118   120     1      119.20      365.21718
    42   116   115     1      120.02      287.72113
    42   116    44     1      120.77      274.39927
    43    42   118     1      119.88      203.67712
    43    42   116     1      119.88      203.67712
    44   116   115     1      120.77      274.39927
    44   131   130     1      120.77      274.39927
    44   131    53     1      120.77      274.39927
    45    44   116     1      110.47      197.82370
    45    44   131     1      110.47      197.82370
    45    44    46     1      107.58      163.00864
    46    44   116     1      110.47      197.82370
    46    44   131     1      110.47      197.82370
    47   117   115     1      117.96      276.57495
    47   121   122     1      123.20      353.76557
    47   121   123     1      123.20      353.76557
    48    47   117     1      109.78      260.98537
    48    47   121     1      108.22      198.86970
    48    47    49     1      108.46      162.34757
    49    47   117     1      109.78      260.98537
    49    47   121     1      108.22      198.86970
    50   120   118     1      117.96      276.57495
    50   124   125     1      123.20      353.76557
    50   124   126     1      123.20      353.76557
    51    50   120     1      109.78      260.98537
    51    50   124     1      108.22      198.86970
    51    50    52     1      108.46      162.34757
    52    50   120     1      109.78      260.98537
    52    50   124     1      108.22      198.86970
    53   127   128     1      120.02      287.72113
    53   127   129     1      119.20      365.21718
    53   131   130     1      120.02      287.72113
    54    53   127     1      119.88      203.67712
    54    53   131     1      119.88      203.67712
    55   130   131     1      120.02      287.72113
    55   130   132     1      119.20      365.21718
    55   128   127     1      120.02      287.72113
    55   128    57     1      120.77      274.39927
    56    55   130     1      119.88      203.67712
    56    55   128     1      119.88      203.67712
    57   128   127     1      120.77      274.39927
    57   143   142     1      120.77      274.39927
    57   143    66     1      120.77      274.39927
    58    57   128     1      110.47      197.82370
    58    57   143     1      110.47      197.82370
    58    57    59     1      107.58      163.00864
    59    57   128     1      110.47      197.82370
    59    57   143     1      110.47      197.82370
    60   129   127     1      117.96      276.57495
    60   133   134     1      123.20      353.76557
    60   133   135     1      123.20      353.76557
    61    60   129     1      109.78      260.98537
    61    60   133     1      108.22      198.86970
    61    60    62     1      108.46      162.34757
    62    60   129     1      109.78      260.98537
    62    60   133     1      108.22      198.86970
    63   132   130     1      117.96      276.57495
    63   136   137     1      123.20      353.76557
    63   136   138     1      123.20      353.76557
    64    63   132     1      109.78      260.98537
    64    63   136     1      108.22      198.86970
    64    63    65     1      108.46      162.34757
    65    63   132     1      109.78      260.98537
    65    63   136     1      108.22      198.86970
    66   139   140     1      120.02      287.72113
    66   139   141     1      119.20      365.21718
    66   143   142     1      120.02      287.72113
    67    66   139     1      119.88      203.67712
    67    66   143     1      119.88      203.67712
    68   142   143     1      120.02      287.72113
    68   142   144     1      119.20      365.21718
    68   140   139     1      120.02      287.72113
    68   140    70     1      120.77      274.39927
    69    68   142     1      119.88      203.67712
    69    68   140     1      119.88      203.67712
    70    83    82     1      120.77      274.39927
    70   140   139     1      120.77      274.39927
    71    70    83     1      110.47      197.82370
    71    70   140     1      110.47      197.82370
    71    70    72     1      107.58      163.00864
    72    70    83     1      110.47      197.82370
    72    70   140     1      110.47      197.82370
    73   141   139     1      117.96      276.57495
    73   145   146     1      123.20      353.76557
    73   145   147     1      123.20      353.76557
    74    73   141     1      109.78      260.98537
    74    73   145     1      108.22      198.86970
    74    73    75     1      108.46      162.34757
    75    73   141     1      109.78      260.98537
    75    73   145     1      108.22      198.86970
    76   144   142     1      117.96      276.57495
    76   148   149     1      123.20      353.76557
    76   148   150     1      123.20      353.76557
    77    76   144     1      109.78      260.98537
    77    76   148     1      108.22      198.86970
    77    76    78     1      108.46      162.34757
    78    76   144     1      109.78      260.98537
    78    76   148     1      108.22      198.86970
    79     1    83     1      120.02      287.72113
    80    79    81     1      119.20      365.21718
    80     3    82     1      120.02      287.72113
    80     5    95     1      112.24      274.51643
    81     8    85     1      109.21      356.70274
    83    82    84     1      119.20      365.21718
    83    70   140     1      112.24      274.51643
    84    11    88     1      109.21      356.70274
    86    85    87     1      130.25      497.13033
    89    88    90     1      130.25      497.13033
    91    14    95     1      120.02      287.72113
    92    91    93     1      119.20      365.21718
    92    16    94     1      120.02      287.72113
    92    18   107     1      112.24      274.51643
    93    21    97     1      109.21      356.70274
    95    94    96     1      119.20      365.21718
    96    24   100     1      109.21      356.70274
    98    97    99     1      130.25      497.13033
   101   100   102     1      130.25      497.13033
   103    27   107     1      120.02      287.72113
   104   103   105     1      119.20      365.21718
   104    29   106     1      120.02      287.72113
   104    31   119     1      112.24      274.51643
   105    34   109     1      109.21      356.70274
   107   106   108     1      119.20      365.21718
   108    37   112     1      109.21      356.70274
   110   109   111     1      130.25      497.13033
   113   112   114     1      130.25      497.13033
   115    40   119     1      120.02      287.72113
   116   115   117     1      119.20      365.21718
   116    42   118     1      120.02      287.72113
   116    44   131     1      112.24      274.51643
   117    47   121     1      109.21      356.70274
   119   118   120     1      119.20      365.21718
   120    50   124     1      109.21      356.70274
   122   121   123     1      130.25      497.13033
   125   124   126     1      130.25      497.13033
   127    53   131     1      120.02      287.72113
   128   127   129     1      119.20      365.21718
   128    55   130     1      120.02      287.72113
   128    57   143     1      112.24      274.51643
   129    60   133     1      109.21      356.70274
   131   130   132     1      119.20      365.21718
   132    63   136     1      109.21      356.70274
   134   133   135     1      130.25      497.13033
   137   136   138     1      130.25      497.13033
   139    66   143     1      120.02      287.72113
   140   139   141     1      119.20      365.21718
   140    68   142     1      120.02      287.72113
   141    73   145     1      109.21      356.70274
   143   142   144     1      119.20      365.21718
   144    76   148     1      109.21      356.70274
   146   145   147     1      130.25      497.13033
   149   148   150     1      130.25      497.13033


; Proper Torsion parameters are defined below

[ dihedrals ]
;   I1    I2    I3    I4   TYPE   theta(deg) K(kJ/rad^2/mol)     N
     1    79    80     3     1    180.0000     15.1670           2
     1    79    80     5     1    180.0000     15.1670           2
     1    79    81     8     1    180.0000      6.7362           2
     1    83    82     3     1    180.0000     15.1670           2
     1    83    82    84     1    180.0000     15.1670           2
     1    83    70   140     1      0.0000      0.0000           2
     1    83    70    71     1      0.0000      0.0000           2
     1    83    70    72     1      0.0000      0.0000           2
     2     1    79    80     1    180.0000     15.1670           2
     2     1    79    81     1    180.0000     15.1670           2
     2     1    83    82     1    180.0000     15.1670           2
     2     1    83    70     1    180.0000     15.1670           2
     3    82    83    70     1    180.0000     15.1670           2
     3    82    84    11     1    180.0000      6.7362           2
     3    80    79    81     1    180.0000     15.1670           2
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     3    80     5     6     1      0.0000      0.0000           2
     3    80     5     7     1      0.0000      0.0000           2
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     4     3    82    84     1    180.0000     15.1670           2
     4     3    80    79     1    180.0000     15.1670           2
     4     3    80     5     1    180.0000     15.1670           2
     5    80    79    81     1    180.0000     15.1670           2
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   105   103    27   107     1    180.0000     15.1670           2
   105    34   109   110     1    180.0000      2.6359           2
   105    34   109   110     1    180.0000      4.1840           3
   105    34   109   110     1      0.0000      0.3347           1
   105    34   109   111     1    180.0000      2.6359           2
   105    34   109   111     1    180.0000      4.1840           3
   105    34   109   111     1      0.0000      0.3347           1
   106   108    37   112     1      0.0000      1.6025           3
   108    37   112   113     1    180.0000      2.6359           2
   108    37   112   113     1    180.0000      4.1840           3
   108    37   112   113     1      0.0000      0.3347           1
   108    37   112   114     1    180.0000      2.6359           2
   108    37   112   114     1    180.0000      4.1840           3
   108    37   112   114     1      0.0000      0.3347           1
   115   116    42   118     1    180.0000     15.1670           2
   115   116    44   131     1      0.0000      0.0000           2
   115    40   119   118     1    180.0000     15.1670           2
   115   117    47   121     1      0.0000      1.6025           3
   116   115    40   119     1    180.0000     15.1670           2
   116    42   118   119     1    180.0000     15.1670           2
   116    42   118   120     1    180.0000     15.1670           2
   116    44   131   130     1      0.0000      0.0000           2
   117   115    40   119     1    180.0000     15.1670           2
   117    47   121   122     1    180.0000      2.6359           2
   117    47   121   122     1    180.0000      4.1840           3
   117    47   121   122     1      0.0000      0.3347           1
   117    47   121   123     1    180.0000      2.6359           2
   117    47   121   123     1    180.0000      4.1840           3
   117    47   121   123     1      0.0000      0.3347           1
   118   120    50   124     1      0.0000      1.6025           3
   120    50   124   125     1    180.0000      2.6359           2
   120    50   124   125     1    180.0000      4.1840           3
   120    50   124   125     1      0.0000      0.3347           1
   120    50   124   126     1    180.0000      2.6359           2
   120    50   124   126     1    180.0000      4.1840           3
   120    50   124   126     1      0.0000      0.3347           1
   127   128    55   130     1    180.0000     15.1670           2
   127   128    57   143     1      0.0000      0.0000           2
   127    53   131   130     1    180.0000     15.1670           2
   127   129    60   133     1      0.0000      1.6025           3
   128   127    53   131     1    180.0000     15.1670           2
   128    55   130   131     1    180.0000     15.1670           2
   128    55   130   132     1    180.0000     15.1670           2
   128    57   143   142     1      0.0000      0.0000           2
   129   127    53   131     1    180.0000     15.1670           2
   129    60   133   134     1    180.0000      2.6359           2
   129    60   133   134     1    180.0000      4.1840           3
   129    60   133   134     1      0.0000      0.3347           1
   129    60   133   135     1    180.0000      2.6359           2
   129    60   133   135     1    180.0000      4.1840           3
   129    60   133   135     1      0.0000      0.3347           1
   130   132    63   136     1      0.0000      1.6025           3
   132    63   136   137     1    180.0000      2.6359           2
   132    63   136   137     1    180.0000      4.1840           3
   132    63   136   137     1      0.0000      0.3347           1
   132    63   136   138     1    180.0000      2.6359           2
   132    63   136   138     1    180.0000      4.1840           3
   132    63   136   138     1      0.0000      0.3347           1
   139   140    68   142     1    180.0000     15.1670           2
   139    66   143   142     1    180.0000     15.1670           2
   139   141    73   145     1      0.0000      1.6025           3
   140   139    66   143     1    180.0000     15.1670           2
   140    68   142   143     1    180.0000     15.1670           2
   140    68   142   144     1    180.0000     15.1670           2
   141   139    66   143     1    180.0000     15.1670           2
   141    73   145   146     1    180.0000      2.6359           2
   141    73   145   146     1    180.0000      4.1840           3
   141    73   145   146     1      0.0000      0.3347           1
   141    73   145   147     1    180.0000      2.6359           2
   141    73   145   147     1    180.0000      4.1840           3
   141    73   145   147     1      0.0000      0.3347           1
   142   144    76   148     1      0.0000      1.6025           3
   144    76   148   149     1    180.0000      2.6359           2
   144    76   148   149     1    180.0000      4.1840           3
   144    76   148   149     1      0.0000      0.3347           1
   144    76   148   150     1    180.0000      2.6359           2
   144    76   148   150     1    180.0000      4.1840           3
   144    76   148   150     1      0.0000      0.3347           1


; (fudged) 14-nonbonded pairs are defined below

[ pairs ]
;   I1   I4  
    1    3  1 
    1    5  1 
    1    8  1 
    1   84  1 
    1  140  1 
    1   71  1 
    1   72  1 
    2   80  1 
    2   81  1 
    2   82  1 
    2   70  1 
    3   70  1 
    3   11  1 
    3   81  1 
    3   95  1 
    3    6  1 
    3    7  1 
    4   83  1 
    4   84  1 
    4   79  1 
    4    5  1 
    5   81  1 
    5   82  1 
    5   16  1 
    5   96  1 
    5   91  1 
    5   15  1 
    6   79  1 
    6   94  1 
    6   14  1 
    7   79  1 
    7   94  1 
    7   14  1 
    8   80  1 
    9   79  1 
    9   86  1 
    9   87  1 
   10   79  1 
   10   86  1 
   10   87  1 
   11   83  1 
   12   82  1 
   12   89  1 
   12   90  1 
   13   82  1 
   13   89  1 
   13   90  1 
   14   16  1 
   14   18  1 
   14   21  1 
   14   80  1 
   14   96  1 
   15   92  1 
   15   93  1 
   15   94  1 
   16   24  1 
   16   93  1 
   16  107  1 
   16   19  1 
   16   20  1 
   17   95  1 
   17   96  1 
   17   91  1 
   17   18  1 
   18   93  1 
   18   94  1 
   18   29  1 
   18  108  1 
   18  103  1 
   18   28  1 
   19   91  1 
   19  106  1 
   19   27  1 
   20   91  1 
   20  106  1 
   20   27  1 
   21   92  1 
   22   91  1 
   22   98  1 
   22   99  1 
   23   91  1 
   23   98  1 
   23   99  1 
   24   95  1 
   25   94  1 
   25  101  1 
   25  102  1 
   26   94  1 
   26  101  1 
   26  102  1 
   27   29  1 
   27   31  1 
   27   34  1 
   27   92  1 
   27  108  1 
   28  104  1 
   28  105  1 
   28  106  1 
   29   37  1 
   29  105  1 
   29  119  1 
   29   32  1 
   29   33  1 
   30  107  1 
   30  108  1 
   30  103  1 
   30   31  1 
   31  105  1 
   31  106  1 
   31   42  1 
   31  120  1 
   31  115  1 
   31   41  1 
   32  103  1 
   32  118  1 
   32   40  1 
   33  103  1 
   33  118  1 
   33   40  1 
   34  104  1 
   35  103  1 
   35  110  1 
   35  111  1 
   36  103  1 
   36  110  1 
   36  111  1 
   37  107  1 
   38  106  1 
   38  113  1 
   38  114  1 
   39  106  1 
   39  113  1 
   39  114  1 
   40   42  1 
   40   44  1 
   40   47  1 
   40  104  1 
   40  120  1 
   41  116  1 
   41  117  1 
   41  118  1 
   42   50  1 
   42  117  1 
   42  131  1 
   42   45  1 
   42   46  1 
   43  119  1 
   43  120  1 
   43  115  1 
   43   44  1 
   44  117  1 
   44  118  1 
   44   55  1 
   44  132  1 
   44  127  1 
   44   54  1 
   45  115  1 
   45  130  1 
   45   53  1 
   46  115  1 
   46  130  1 
   46   53  1 
   47  116  1 
   48  115  1 
   48  122  1 
   48  123  1 
   49  115  1 
   49  122  1 
   49  123  1 
   50  119  1 
   51  118  1 
   51  125  1 
   51  126  1 
   52  118  1 
   52  125  1 
   52  126  1 
   53   55  1 
   53   57  1 
   53   60  1 
   53  116  1 
   53  132  1 
   54  128  1 
   54  129  1 
   54  130  1 
   55   63  1 
   55  129  1 
   55  143  1 
   55   58  1 
   55   59  1 
   56  131  1 
   56  132  1 
   56  127  1 
   56   57  1 
   57  129  1 
   57  130  1 
   57   68  1 
   57  144  1 
   57  139  1 
   57   67  1 
   58  127  1 
   58  142  1 
   58   66  1 
   59  127  1 
   59  142  1 
   59   66  1 
   60  128  1 
   61  127  1 
   61  134  1 
   61  135  1 
   62  127  1 
   62  134  1 
   62  135  1 
   63  131  1 
   64  130  1 
   64  137  1 
   64  138  1 
   65  130  1 
   65  137  1 
   65  138  1 
   66   68  1 
   66   70  1 
   66   73  1 
   66  128  1 
   66  144  1 
   67  140  1 
   67  141  1 
   67  142  1 
   68   76  1 
   68  141  1 
   68   83  1 
   68   71  1 
   68   72  1 
   69  143  1 
   69  144  1 
   69  139  1 
   69   70  1 
   70   84  1 
   70   79  1 
   70  141  1 
   70  142  1 
   71   82  1 
   71  139  1 
   72   82  1 
   72  139  1 
   73  140  1 
   74  139  1 
   74  146  1 
   74  147  1 
   75  139  1 
   75  146  1 
   75  147  1 
   76  143  1 
   77  142  1 
   77  149  1 
   77  150  1 
   78  142  1 
   78  149  1 
   78  150  1 
   79   82  1 
   79   95  1 
   79   85  1 
   80   83  1 
   80   84  1 
   80   94  1 
   81   83  1 
   81   86  1 
   81   87  1 
   82  140  1 
   82   88  1 
   83  139  1 
   84   89  1 
   84   90  1 
   91   94  1 
   91  107  1 
   91   97  1 
   92   95  1 
   92   96  1 
   92  106  1 
   93   95  1 
   93   98  1 
   93   99  1 
   94  100  1 
   96  101  1 
   96  102  1 
  103  106  1 
  103  119  1 
  103  109  1 
  104  107  1 
  104  108  1 
  104  118  1 
  105  107  1 
  105  110  1 
  105  111  1 
  106  112  1 
  108  113  1 
  108  114  1 
  115  118  1 
  115  131  1 
  115  121  1 
  116  119  1 
  116  120  1 
  116  130  1 
  117  119  1 
  117  122  1 
  117  123  1 
  118  124  1 
  120  125  1 
  120  126  1 
  127  130  1 
  127  143  1 
  127  133  1 
  128  131  1 
  128  132  1 
  128  142  1 
  129  131  1 
  129  134  1 
  129  135  1 
  130  136  1 
  132  137  1 
  132  138  1 
  139  142  1 
  139  145  1 
  140  143  1 
  140  144  1 
  141  143  1 
  141  146  1 
  141  147  1 
  142  148  1 
  144  149  1 
  144  150  1 


; ImProper Torsion parameters are defined below

[ dihedrals ]
;   I1    I2    I3    I4   TYPE   theta(deg) K(kJ/rad^2/mol)     N
    79     1    80    81     1    180.0000      4.6024           2
    82     3    83    84     1    180.0000      4.6024           2
    80     3    79     5     1    180.0000      4.6024           2
     1    83    79     2     1    180.0000      4.6024           2
    83     1    82    70     1    180.0000      4.6024           2
     3    80    82     4     1    180.0000      4.6024           2
    85    86     8    87     1    180.0000      4.6024           2
    88    89    11    90     1    180.0000      4.6024           2
    91    14    92    93     1    180.0000      4.6024           2
    94    16    95    96     1    180.0000      4.6024           2
    92    16    91    18     1    180.0000      4.6024           2
    14    95    91    15     1    180.0000      4.6024           2
    95    94     5    14     1    180.0000      4.6024           2
    16    92    94    17     1    180.0000      4.6024           2
    97    98    21    99     1    180.0000      4.6024           2
   100   101    24   102     1    180.0000      4.6024           2
   103    27   104   105     1    180.0000      4.6024           2
   106    29   107   108     1    180.0000      4.6024           2
   104    29   103    31     1    180.0000      4.6024           2
    27   107   103    28     1    180.0000      4.6024           2
   107   106    18    27     1    180.0000      4.6024           2
    29   104   106    30     1    180.0000      4.6024           2
   109   110    34   111     1    180.0000      4.6024           2
   112   113    37   114     1    180.0000      4.6024           2
   115    40   116   117     1    180.0000      4.6024           2
   118    42   119   120     1    180.0000      4.6024           2
   116    42   115    44     1    180.0000      4.6024           2
    40   119   115    41     1    180.0000      4.6024           2
   119   118    31    40     1    180.0000      4.6024           2
    42   116   118    43     1    180.0000      4.6024           2
   121   122    47   123     1    180.0000      4.6024           2
   124   125    50   126     1    180.0000      4.6024           2
   127    53   128   129     1    180.0000      4.6024           2
   130    55   131   132     1    180.0000      4.6024           2
   128    55   127    57     1    180.0000      4.6024           2
    53   131   127    54     1    180.0000      4.6024           2
   131   130    44    53     1    180.0000      4.6024           2
    55   128   130    56     1    180.0000      4.6024           2
   133   134    60   135     1    180.0000      4.6024           2
   136   137    63   138     1    180.0000      4.6024           2
   139    66   140   141     1    180.0000      4.6024           2
   142    68   143   144     1    180.0000      4.6024           2
   140    68   139    70     1    180.0000      4.6024           2
    66   143   139    67     1    180.0000      4.6024           2
   143   142    57    66     1    180.0000      4.6024           2
    68   140   142    69     1    180.0000      4.6024           2
   145   146    73   147     1    180.0000      4.6024           2
   148   149    76   150     1    180.0000      4.6024           2