* LIGAND DATABASE FILE (OPLS2005)
*
001     112   117    218    350     642
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02120   106.05648   -24.66579
    3     1 S   H    _H1_     3     1.02085    62.36468    78.35505
    4     1 S   H    _H2_     4     1.02182    49.95070  -125.82482
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C7_    36     1.83622    97.72006   159.98248
   34    33 S   HC   _H3_    37     1.09711   105.45822    36.69252
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C8_    38     1.54377   110.80145   -79.97414
   39    38 S   HC   _H11    39     1.09919   110.74389    31.59973
   40    38 S   HC   _H12    40     1.09871   108.86716   -84.85568
   41    33 S   CT   _C5_   104     1.54812   110.15721   153.25382
   42    41 S   HC   _H9_   105     1.09879   109.11053   158.59607
   43    38 S   CT   _C9_    41     1.51990   113.93769   155.05534
   44    41 S   CO4  _C6_   106     1.52299   108.87542    45.20874
   45    44 S   O    _O33   107     1.22696   124.79585  -123.55071
   46    44 S   HC   _H10   108     1.10455   115.14655    58.19772
   47    41 S   CT   _C4_   109     1.52866   115.25660   -79.75033
   48    47 S   HC   _H6_   110     1.09606   110.40135    57.75321
   49    47 S   HC   _H7_   111     1.09396   111.85366   177.11778
   50    47 S   HC   _H8_   112     1.09498   111.88695   -61.07191
   51    43 S   CO4  _C10    42     1.54665   111.72661   -84.32973
   52    51 S   O    _O34    43     1.22709   123.51067    46.28305
   53    43 S   OS   _O39    95     1.43594   109.78819    31.82757
   54    51 S   CT   _C11    44     1.52814   113.76848  -135.05454
   55    54 S   HC   _H4_    45     1.09209   112.06262  -178.48276
   56    54 S   CM   _C16    46     1.50302   103.94346    59.92764
   57    56 S   HC   _H15    47     1.08219   121.18818   123.71950
   58    54 S   CT   _C12    91     1.54120   108.20866   -53.11681
   59    58 S   HC   _H13    92     1.09949   109.11138   163.68828
   60    58 S   HC   _H14    93     1.09075   110.81765   -81.34734
   61    56 S   CM   _C15    48     1.34231   114.33221   -59.93102
   62    61 S   CO4  _C17    49     1.46679   121.27779  -176.57429
   63    62 S   O    _O35    50     1.22262   121.83717    -1.84016
   64    62 S   CA   _C18    51     1.46744   114.79509   178.12153
   65    64 S   CA   _C23    52     1.38945   120.34968     3.62131
   66    65 S   CA   _C22    53     1.39915   119.30732   179.62466
   67    65 S   OS   _O36    87     1.35916   125.46366     0.54715
   68    66 S   CA   _C21    54     1.39719   120.66282     0.21398
   69    66 S   CT   _C24    73     1.49916   120.03820  -179.44433
   70    69 S   HC   _H16    74     1.10074   109.73736    44.66498
   71    69 S   HC   _H17    75     1.09758   109.97087   158.56532
   72    43 S   CT   _C14    88     1.55527   115.76326   152.44610
   73    68 S   CA   _C20    55     1.39377   120.02870    -0.14537
   74    69 S   CM   _C25    76     1.50706   112.65557   -75.59333
   75    74 S   HC   _H18    77     1.08987   114.11646    32.44699
   76    72 S   CT   _C13    89     1.56415    96.48269  -164.86683
   77    76 S   HC   _H5_    90     1.09584   113.02940   160.52995
   78    64 S   CA   _C19    56     1.40188   119.36696  -176.64054
   79    73 S   CM   _C31    59     1.45287   119.80034  -179.95154
   80    79 S   HC   _H26    60     1.08369   121.05314   179.97202
   81    74 S   CM   _C26    78     1.34640   127.94739  -148.62096
   82    76 S   CT   _C34    94     1.56262   102.13789    41.84120
   83    78 S   OH   _O38    57     1.36690   120.91618     0.39366
   84    83 S   HO   _H33    58     0.96887   109.93018    -0.13122
   85    79 S   CM   _C30    61     1.33434   118.20020    -0.12972
   86    85 S   HC   _H25    62     1.08728   118.79401  -179.92087
   87    81 S   CT   _C27    79     1.50300   125.22693   179.98022
   88    87 S   HC   _H19    80     1.09174   113.64403    89.97036
   89    87 S   HC   _H20    81     1.09501   110.03642  -150.15166
   90    87 S   HC   _H21    82     1.09490   110.04590   -30.87459
   91    81 S   CT   _C28    83     1.50544   120.45301    -0.50397
   92    91 S   HC   _H22    84     1.09522   112.45687    90.00295
   93    91 S   HC   _H23    85     1.09512   110.21431  -149.93100
   94    91 S   HC   _H24    86     1.09464   110.24165   -30.10282
   95    82 S   CT   _C35    96     1.53706   112.71633  -147.14766
   96    95 S   HC   _H34    97     1.08545   109.28783  -180.00000
   97    95 S   HC   _H35    98     1.08474   109.33853    59.98099
   98    95 S   HC   _H36    99     1.08568   109.29317   -60.01010
   99    82 S   CT   _C36   100     1.53400   116.25126    89.62923
  100    99 S   HC   _H37   101     1.08662   109.48870  -180.00000
  101    99 S   HC   _H38   102     1.08711   109.45335    60.02004
  102    99 S   HC   _H39   103     1.08666   109.51408   -59.94348
  103    85 S   CT   _C29    63     1.51015   123.10098    -0.02798
  104    68 S   OS   _O37    64     1.36541   116.24960   179.92338
  105   103 S   CT   _C32    65     1.53271   109.26608  -119.81954
  106   105 S   HC   _H27    66     1.08749   109.53950  -179.96044
  107   105 S   HC   _H28    67     1.08673   109.50359    60.07339
  108   105 S   HC   _H29    68     1.08667   109.54369   -59.97098
  109   103 S   CT   _C33    69     1.53381   109.21276   120.23729
  110   109 S   HC   _H30    70     1.08695   109.54971   179.97202
  111   109 S   HC   _H31    71     1.08736   109.48038    60.01375
  112   109 S   HC   _H32    72     1.08656   109.55841   -59.93850
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  16   6   5   9   7  17   6   2   1   3   2
   1   1  14   6  16  12   7  11   4  10   5   4  10  10   4  11
  13  14   7  14   9   4   3   5   9  10   3  10   3   6   8   3
   8   8   1   1  11   4   7   3   2   1   3   2   1   1   7   3
   2   1   3   2   1   1   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    51    72    53    41    42    44    45    46    47    48    49    50  
   38    39    40    43    41    42    44    47  
   36    37  
   37  
    0  
   39    40    43    51    52    54    61    67    72    76    82    53    41    42    44    47  
   40    43    51    72    53    41  
   43    51    72    53    41  
   42    44    45    46    47    48    49    50    43  
   44    45    46    47    48    49    50  
   51    52    54    55    56    61    62    65    67    72    76    77    58    82    53    95    99  
   45    46    47    48    49    50  
   46    47  
   47  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    56    57    61    67    72    76    58    59    60    82    53  
   54    55    56    72    58    53  
   95    96    97    98    99   100   101   102    54    58    61    67    72    76    77    82  
   55    56    57    61    62    72    76    77    58    59    60    82  
   56    57    61    76    58    59    60  
   57    61    62    63    64    67    72    76    58    59    60  
   61    62    72    58  
   59    60    82    95    99    61    67    72    76    77  
   60    82    72    76    77  
   82    72    76    77  
   62    63    64    65    78    67    72    76    77    82  
   63    64    65    66    73    78    83    67    72    76  
   64    65    78    72  
   65    66    68    73    78    83    84    79    69    67    72  
   66    68    73    78    83   104    69    70    71    74    67    72    76  
   68    73    78    79   103   104    69    70    71    74    75    81    67    72  
   72    76    77    82    68    69    78  
   73    78    83    79    80    85   103   104   105   109    69    70    71    74  
   70    71    74    75    81    87    91    73   104  
   71    74    75    81  
   74    75    81  
   76    77    82    95    99  
   78    83    84    79    80    85    86   103   104  
   75    81    87    88    89    90    91    92    93    94  
   81    87    91  
   77    82    95    96    97    98    99   100   101   102  
   82    95    99  
   83    84    79    80    85   104  
   80    85    86   103   104   105   109    83  
   85    86   103  
   87    88    89    90    91    92    93    94  
   95    96    97    98    99   100   101   102  
   84  
    0  
   86   103   104   105   106   107   108   109   110   111   112  
  103   104   105   109  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91  
   91  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98    99   100   101   102  
   97    98    99  
   98    99  
   99  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108   109   110   111   112  
  105   106   107   108   109   110   111   112  
  106   107   108   109   110   111   112  
  107   108   109  
  108   109  
  109  
  110   111   112  
  111   112  
  112  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    51   317.000  1.522
   43    72   268.000  1.529
   43    53   320.000  1.410
   51    52   570.000  1.229
   51    54   317.000  1.522
   54    55   340.000  1.090
   54    56   317.000  1.510
   54    58   268.000  1.529
   56    57   340.000  1.080
   56    61   549.000  1.340
   61    62   320.000  1.462
   61    72   317.000  1.510
   62    63   570.000  1.229
   62    64   310.000  1.470
   64    65   469.000  1.400
   64    78   469.000  1.400
   65    66   469.000  1.400
   65    67   450.000  1.364
   66    68   469.000  1.400
   66    69   317.000  1.510
   68    73   469.000  1.400
   68   104   450.000  1.364
   73    78   469.000  1.400
   73    79   320.000  1.460
   78    83   450.000  1.364
   83    84   553.000  0.945
   79    80   340.000  1.080
   79    85   549.000  1.340
   85    86   340.000  1.080
   85   103   317.000  1.510
  103   104   320.000  1.410
  103   105   268.000  1.529
  103   109   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   317.000  1.510
   74    75   340.000  1.080
   74    81   549.000  1.340
   81    87   317.000  1.510
   81    91   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   67    72   320.000  1.410
   72    76   268.000  1.529
   76    77   340.000  1.090
   76    58   268.000  1.529
   76    82   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   82    53   320.000  1.410
   82    95   268.000  1.529
   82    99   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   41    42   340.000  1.090
   41    44   317.000  1.522
   41    47   268.000  1.529
   44    45   570.000  1.229
   44    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    44    63.00000  111.10000
   33    41    47    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    51    63.00000  111.10000
   38    43    72    58.35000  112.70000
   38    43    53    50.00000  109.50000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    51    52    80.00000  120.40000
   43    51    54    70.00000  116.00000
   43    72    61    70.00000  112.02700
   43    72    67    50.00000  109.50000
   43    72    76    58.35000  112.70000
   43    53    82    60.00000  109.50000
   51    54    55    35.00000  109.50000
   51    54    56    70.00000  109.06800
   51    54    58    63.00000  111.10000
   54    51    52    80.00000  120.40000
   54    56    57    35.00000  117.00000
   54    56    61    70.00000  124.00000
   54    58    76    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   56    54    55    35.00000  109.50000
   56    61    62    65.00000  118.96000
   56    61    72    70.00000  124.00000
   61    56    57    35.00000  120.00000
   61    62    63    80.00000  123.72100
   61    62    64    65.00000  117.02400
   61    72    67    85.00000  110.90400
   61    72    76    70.00000  112.02700
   62    64    65    60.00000  119.52600
   62    64    78    60.00000  119.52600
   64    62    63    75.00000  123.78400
   64    65    66    63.00000  120.00000
   64    65    67    70.00000  120.00000
   64    78    73    63.00000  120.00000
   64    78    83    70.00000  120.00000
   65    66    68    63.00000  120.00000
   65    66    69    70.00000  120.00000
   65    67    72    75.00000  111.00000
   66    68    73    63.00000  120.00000
   66    68   104    70.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    74    70.00000  112.99600
   68    73    78    63.00000  120.00000
   68    73    79    60.00000  120.93500
   68   104   103    75.00000  111.00000
   73    78    83    70.00000  120.00000
   73    79    80    40.00000  117.26300
   73    79    85    60.00000  123.20500
   78    64    65    63.00000  120.00000
   78    83    84    35.00000  113.00000
   79    73    78    60.00000  120.93500
   79    85    86    35.00000  120.00000
   79    85   103    70.00000  124.00000
   85    79    80    35.00000  120.00000
   85   103   104    85.00000  110.90400
   85   103   105    70.00000  112.02700
   85   103   109    70.00000  112.02700
  103    85    86    35.00000  117.00000
  103   105   106    37.50000  110.70000
  103   105   107    37.50000  110.70000
  103   105   108    37.50000  110.70000
  103   109   110    37.50000  110.70000
  103   109   111    37.50000  110.70000
  103   109   112    37.50000  110.70000
  104    68    73    70.00000  120.00000
  105   103   104    50.00000  109.50000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   103   104    50.00000  109.50000
  109   103   105    58.35000  112.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   69    66    68    70.00000  120.00000
   69    74    75    35.00000  117.00000
   69    74    81    70.00000  124.00000
   71    69    70    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    35.00000  109.50000
   74    81    87    70.00000  124.00000
   74    81    91    70.00000  124.00000
   81    74    75    35.00000  120.00000
   81    87    88    35.00000  109.50000
   81    87    89    35.00000  109.50000
   81    87    90    35.00000  109.50000
   81    91    92    35.00000  109.50000
   81    91    93    35.00000  109.50000
   81    91    94    35.00000  109.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    81    87    65.00000  117.92700
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   67    65    66    70.00000  120.00000
   67    72    76    50.00000  109.50000
   72    43    51    63.00000  111.10000
   72    61    62    65.00000  116.34900
   72    76    77    37.50000  110.70000
   72    76    58    58.35000  112.70000
   72    76    82    58.35000  112.70000
   76    58    59    37.50000  110.70000
   76    58    60    37.50000  110.70000
   76    82    53    50.00000  109.50000
   76    82    95    58.35000  112.70000
   76    82    99    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    54    56    70.00000  112.02700
   58    76    77    37.50000  110.70000
   60    58    59    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    58    58.35000  112.70000
   82    95    96    37.50000  110.70000
   82    95    97    37.50000  110.70000
   82    95    98    37.50000  110.70000
   82    99   100    37.50000  110.70000
   82    99   101    37.50000  110.70000
   82    99   102    37.50000  110.70000
   53    43    51    90.00000  108.74100
   53    43    72    50.00000  109.50000
   95    82    53    50.00000  109.50000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   99    82    53    50.00000  109.50000
   99    82    95    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    44    45    80.00000  120.40000
   41    44    46    35.00000  115.00000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    50    37.50000  110.70000
   44    41    42    35.00000  109.50000
   46    44    45    35.00000  123.00000
   47    41    42    37.50000  110.70000
   47    41    44    63.00000  111.10000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
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   72    76    58    59   0.15000  1.0 3.0
   72    76    58    60   0.15000  1.0 3.0
   72    76   -82    53   0.62750  1.0 1.0
   72    76   -82    53  -0.30950 -1.0 2.0
   72    76   -82    53   0.27300  1.0 3.0
   72    76    82    95   0.56750  1.0 1.0
   72    76    82    95  -0.07550 -1.0 2.0
   72    76    82    95   0.20000  1.0 3.0
   72    76    82    99   0.56750  1.0 1.0
   72    76    82    99  -0.07550 -1.0 2.0
   72    76    82    99   0.20000  1.0 3.0
   76    82   -53    43   0.06250  1.0 1.0
   76    82   -53    43  -0.01100 -1.0 2.0
   76    82   -53    43   0.28050  1.0 3.0
   76    82    95    96   0.15000  1.0 3.0
   76    82    95    97   0.15000  1.0 3.0
   76    82    95    98   0.15000  1.0 3.0
   76    82    99   100   0.15000  1.0 3.0
   76    82    99   101   0.15000  1.0 3.0
   76    82    99   102   0.15000  1.0 3.0
   77    76    58    54   0.15000  1.0 3.0
   77    76    58    59   0.15000  1.0 3.0
   77    76    58    60   0.15000  1.0 3.0
   77    76    82    53   0.23400  1.0 3.0
   77    76    82    95   0.15000  1.0 3.0
   77    76    82    99   0.15000  1.0 3.0
   58    54    56    57   0.00000  1.0 1.0
   58    54   -56    61   0.09850  1.0 1.0
   58    54   -56    61   0.15250 -1.0 2.0
   58    54   -56    61  -0.50650  1.0 3.0
   58    76    82    53   0.62750  1.0 1.0
   58    76    82    53  -0.30950 -1.0 2.0
   58    76    82    53   0.27300  1.0 3.0
   58    76    82    95   0.56750  1.0 1.0
   58    76    82    95  -0.07550 -1.0 2.0
   58    76    82    95   0.20000  1.0 3.0
   58    76    82    99   0.56750  1.0 1.0
   58    76    82    99  -0.07550 -1.0 2.0
   58    76    82    99   0.20000  1.0 3.0
   82    76    58    54   0.56750  1.0 1.0
   82    76    58    54  -0.07550 -1.0 2.0
   82    76    58    54   0.20000  1.0 3.0
   82    76    58    59   0.15000  1.0 3.0
   82    76    58    60   0.15000  1.0 3.0
   53    43    51    52   0.30150 -1.0 2.0
   53    43    51    54   0.55300  1.0 1.0
   53    43    51    54   1.25850 -1.0 2.0
   53    43    51    54  -0.23600  1.0 3.0
   53    43    72    61   0.61850  1.0 1.0
   53    43    72    61  -0.22750 -1.0 2.0
   53    43    72    61   0.15300  1.0 3.0
   53    43    72    67   1.11900  1.0 1.0
   53    43    72    67  -1.16350 -1.0 2.0
   53    43    72    67  -0.34150  1.0 3.0
   53    43   -72    76   0.62750  1.0 1.0
   53    43   -72    76  -0.30950 -1.0 2.0
   53    43   -72    76   0.27300  1.0 3.0
   53    82    95    96   0.23400  1.0 3.0
   53    82    95    97   0.23400  1.0 3.0
   53    82    95    98   0.23400  1.0 3.0
   53    82    99   100   0.23400  1.0 3.0
   53    82    99   101   0.23400  1.0 3.0
   53    82    99   102   0.23400  1.0 3.0
   95    82    53    43   0.06250  1.0 1.0
   95    82    53    43  -0.01100 -1.0 2.0
   95    82    53    43   0.28050  1.0 3.0
   95    82    99   100   0.15000  1.0 3.0
   95    82    99   101   0.15000  1.0 3.0
   95    82    99   102   0.15000  1.0 3.0
   99    82    53    43   0.06250  1.0 1.0
   99    82    53    43  -0.01100 -1.0 2.0
   99    82    53    43   0.28050  1.0 3.0
   99    82    95    96   0.15000  1.0 3.0
   99    82    95    97   0.15000  1.0 3.0
   99    82    95    98   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    46   0.00000  1.0 1.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    50   0.15000  1.0 3.0
   44    41    47    48  -0.11250  1.0 3.0
   44    41    47    49  -0.11250  1.0 3.0
   44    41    47    50  -0.11250  1.0 3.0
   47    41    44    45   0.30150 -1.0 2.0
   47    41    44    46   0.74550  1.0 1.0
   47    41    44    46  -0.00500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    54    51    52  10.50000 -1.0 2.0
   54    57    56    61   1.10000 -1.0 2.0
   62    72    61    56   1.10000 -1.0 2.0
   61    64    62    63  10.50000 -1.0 2.0
   65    78    64    62   4.00000 -1.0 2.0
   66    67    65    64   4.00000 -1.0 2.0
   68    69    66    65   4.00000 -1.0 2.0
   73   104    68    66   4.00000 -1.0 2.0
   78    79    73    68   4.00000 -1.0 2.0
   73    83    78    64   4.00000 -1.0 2.0
   73    80    79    85   1.10000 -1.0 2.0
  103    86    85    79   1.10000 -1.0 2.0
   69    75    74    81  15.00000 -1.0 2.0
   87    91    81    74  15.00000 -1.0 2.0
   41    46    44    45  10.50000 -1.0 2.0
END
