* LIGAND DATABASE FILE (OPLS2005)
*
001     116   119    210    331     629
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02069   104.34021   -34.99869
    3     1 S   H    _H1_     3     1.02084    68.81278    69.87166
    4     1 S   H    _H2_     4     1.02140    44.22053  -137.16876
    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   _C26    36     1.83268    97.82035   -78.13194
   34    33 S   HC   _H13    37     1.09678   105.46811    37.23346
   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   CA   _C27    38     1.51679   110.72501   -80.03512
   39    33 S   CT   _C25    51     1.53562   109.42210   153.12083
   40    39 S   HC   _H30    52     1.09637   112.22729    64.85081
   41    39 S   HC   _H31    53     1.09783   111.39070   -54.00046
   42    38 S   CA   _C28    39     1.39483   120.01975   -64.64632
   43    42 S   HA   _H32    40     1.08670   120.47660     0.02798
   44    39 S   CO4  _C24    54     1.51193   111.81309  -174.00622
   45    44 S   O    _O42    55     1.22453   123.71015   -93.75644
   46    42 S   CA   _C29    41     1.39454   119.97593   179.86294
   47    46 S   HA   _H33    42     1.08660   119.60525   180.00000
   48    44 S   OS   _O41    56     1.36685   110.39393    86.11640
   49    46 S   CA   _C30    43     1.39461   120.04198     0.05595
   50    48 S   CT   _C11    57     1.42275   115.78844  -179.90721
   51    50 S   HC   _H9_    58     1.09828   107.06657    30.00124
   52    49 S   CA   _C31    44     1.39483   119.98200    -0.06256
   53    49 S   OH   _O44    49     1.36263   119.45972   179.97202
   54    53 S   HO   _H36    50     0.96965   110.17620    -0.05234
   55    50 S   CT   _C12    59     1.53197   110.05112   -87.35536
   56    55 S   HC   _H10    60     1.09650   109.49637    62.34317
   57    38 S   CA   _C32    45     1.39519   119.95762   115.21597
   58    57 S   HA   _H34    46     1.08744   120.18037     0.12972
   59    52 S   OH   _O43    47     1.36274   120.54735  -179.98022
   60    59 S   HO   _H35    48     0.96978   110.20690  -179.92087
   61    55 S   CT   _C13    61     1.53669   109.75648  -175.61921
   62    61 S   HC   _H11    62     1.09754   109.44324   -64.22125
   63    55 S   OH   _O40   115     1.42735   109.34641   -54.41721
   64    63 S   HO   _H29   116     0.96889   106.43384   179.96044
   65    61 S   OS   _O35    63     1.43490   110.64608    54.93212
   66    61 S   CT   _C23   110     1.52421   113.00871   175.26430
   67    66 S   HC   _H26   111     1.09046   110.02860    40.01253
   68    66 S   HC   _H27   112     1.08996   110.05156   -80.95924
   69    65 S   CO   _C14    64     1.43004   112.95721   -60.95072
   70    69 S   HC   _H12    65     1.09787   108.98145   -59.74311
   71    66 S   OH   _O39   113     1.41653   108.61120   159.48640
   72    71 S   HO   _H28   114     0.97289   107.04395   179.98022
   73    50 S   CT   _C10    66     1.52972   110.98420   148.37526
   74    73 S   HC   _H8_    67     1.09532   110.86560   -61.76890
   75    69 S   OS   _O36    90     1.42482   110.66298  -177.89457
   76    73 S   OS   _O34    68     1.41920   109.50922    55.25327
   77    75 S   CT   _C15    91     1.41997   111.38892    77.88138
   78    77 S   HC   _H17    92     1.09460   107.85713    79.99933
   79    77 S   HC   _H18    93     1.09466   108.78474   -37.86010
   80    76 S   CO   _C9_    69     1.42866   111.32063  -119.86108
   81    80 S   HC   _H7_    70     1.09581   107.46767    59.98057
   82    77 S   CT   _C16    94     1.52625   109.69985  -160.49003
   83    82 S   HC   _H19    95     1.09668   109.62016   -60.68987
   84    82 S   HC   _H20    96     1.09720   108.99869  -177.09061
   85    80 S   CT   _C8_    71     1.52918   107.80636  -179.88465
   86    85 S   HC   _H6_    72     1.09755   109.02027    53.65939
   87    82 S   CA   _C17    97     1.50269   112.81582    61.64875
   88    85 S   CT   _C7_    73     1.53382   111.78427   174.29886
   89    88 S   HC   _H5_    74     1.11283   108.75281  -170.80153
   90    85 S   OH   _O45    88     1.42411   109.53126   -63.47227
   91    90 S   HO   _H37    89     0.97076   106.61242   176.66463
   92    87 S   CA   _C18    98     1.39532   119.99764    90.08181
   93    92 S   HA   _H21    99     1.08620   120.49523     0.00000
   94    88 S   CT   _C6_    75     1.53089   110.75609   -49.51953
   95    94 S   HC   _H4_    76     1.09604   110.19366   170.10938
   96    88 S   OH   _O46    86     1.42742   110.69311    72.14525
   97    96 S   HO   _H38    87     0.96833   106.35050   177.62315
   98    92 S   CA   _C19   100     1.39481   119.96703   179.87489
   99    98 S   HA   _H22   101     1.08687   119.54015   179.98022
  100    94 S   CT   _C5_    77     1.53857   111.15616    48.93690
  101   100 S   HC   _H3_    78     1.09366   109.83206    65.60019
  102    94 S   OH   _O47    84     1.42684   108.97383   -71.51280
  103   102 S   HO   _H39    85     0.96926   106.43602   -60.08201
  104    98 S   CA   _C20   102     1.39458   120.02508     0.05234
  105    80 S   OS   _O33    79     1.42739   109.60741   -59.96469
  106   100 S   CT   _C4_    80     1.52521   112.31587  -173.98634
  107   106 S   HC   _H14    81     1.08938   109.96530    58.63649
  108   106 S   HC   _H15    82     1.08992   109.95981   -61.27966
  109   106 S   HC   _H16    83     1.08990   110.01105   178.66484
  110   104 S   CA   _C21   103     1.39395   120.00215    -0.03956
  111   104 S   OH   _O38   108     1.36246   119.38824   179.95154
  112   111 S   HO   _H25   109     0.96987   110.25070     0.05234
  113    87 S   CA   _C22   104     1.39458   119.99447   -89.99100
  114   113 S   HA   _H23   105     1.08738   120.16217     0.07662
  115   110 S   OH   _O37   106     1.36246   120.53399   179.97202
  116   115 S   HO   _H24   107     0.97089   110.22318  -180.00000
  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   9   5   4   3
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3  10
   7  16   8   6   3   1  14   7   3   1   1   1  13   7   4   1
  11   5   3   2  10   5   1   1   8   3   8   8   8   5   4  13
   6   9   4   3  12   7   9  13   7   4   1   8   4  12   7   3
   1   7   3   8   6   3   1   7   4   3   2   1   1   6   3   1
   3   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    57    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    57    58    39    40    41    44    45    48  
   38    42    57    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    57    58    59    39    40    41    44  
   40    41    44    45    48    50    42    57  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    57    58    53  
   46    47    49    57  
   45    48    50    51    55    73  
   48    50  
   47    49    52    57    59    53    54  
   49    52    53  
   50    51    55    56    61    69    73    74    76    63  
   52    57    58    59    60    53    54  
   51    55    56    61    62    65    69    70    73    74    76    80    75    66    63    64  
   55    56    61    69    73    74    76    63  
   57    58    59    60    53    54  
   54    57    59  
    0  
   56    61    62    65    69    73    74    76    66    67    68    71    63    64  
   61    62    65    73    66    63    64  
   58    59    60  
   59  
   60  
    0  
   62    65    69    70    73    75    66    67    68    71    72    63    64  
   65    69    66    67    68    71    63  
   64    65    66    73  
    0  
   69    70    73    74    76    75    77    66    67    68    71  
   67    68    71    72    69  
   68    71    72  
   71    72  
   70    73    74    76    80    75    77    78    79    82  
   73    74    76    75    77  
   72  
    0  
   74    76    80    81    85   105    75    77  
   76    80    75  
   77    78    79    82    83    84    87    76  
   80    81    85    86    88   100   105    90  
   78    79    82    83    84    87    92   113  
   79    82    83    84    87  
   82    83    84    87  
   81    85    86    88    89    94   100   101   105   106    96    90    91  
   85    86    88   100   105    90  
   83    84    87    92    93    98   110   113   114  
   84    87    92   113  
   87    92   113  
   86    88    89    94    95   100   105   102    96    97    90    91  
   88    89    94   105    96    90    91  
   92    93    98    99   104   110   113   114   115  
   89    94    95   100   101   105   106   102   103    96    97    90    91  
   94    95   100   102    96    97    90  
   91    94    96   105  
    0  
   93    98    99   104   110   113   114   111  
   98    99   104   113  
   95   100   101   105   106   107   108   109   102   103    96    97  
  100   101   105   106   102   103    96  
   97   100   102  
    0  
   99   104   110   113   115   111   112  
  104   110   111  
  101   105   106   107   108   109   102   103  
  105   106   107   108   109   102  
  103   105   106  
    0  
  110   113   114   115   116   111   112  
  106   107   108   109  
  107   108   109  
  108   109  
  109  
    0  
  113   114   115   116   111   112  
  112   113   115  
    0  
  114   115   116  
  115  
  116  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   88   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   94   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  100   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  102   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  104   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  105   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  111   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  112   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
  113   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  114   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  115   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  116   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    57   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   59    60   553.000  0.945
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    73   268.000  1.529
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    63   320.000  1.410
   61    62   340.000  1.090
   61    65   320.000  1.410
   61    66   268.000  1.529
   65    69   320.000  1.380
   69    70   340.000  1.090
   69    73   250.000  1.527
   69    75   320.000  1.380
   73    74   340.000  1.090
   73    76   320.000  1.410
   76    80   320.000  1.380
   80    81   340.000  1.090
   80    85   250.000  1.527
   80   105   320.000  1.380
   85    86   340.000  1.090
   85    88   268.000  1.529
   85    90   320.000  1.410
   88    89   340.000  1.090
   88    94   268.000  1.529
   88    96   320.000  1.410
   94    95   340.000  1.090
   94   100   268.000  1.529
   94   102   320.000  1.410
  100   101   340.000  1.090
  100   105   320.000  1.410
  100   106   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  102   103   553.000  0.945
   96    97   553.000  0.945
   90    91   553.000  0.945
   75    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    87   317.000  1.510
   87    92   469.000  1.400
   87   113   469.000  1.400
   92    93   367.000  1.080
   92    98   469.000  1.400
   98    99   367.000  1.080
   98   104   469.000  1.400
  104   110   469.000  1.400
  104   111   450.000  1.364
  110   113   469.000  1.400
  110   115   450.000  1.364
  113   114   367.000  1.080
  115   116   553.000  0.945
  111   112   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   553.000  0.945
   63    64   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    57    52    63.00000  120.00000
   38    57    58    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    57    63.00000  120.00000
   49    52    59    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    57    58    35.00000  120.00000
   52    59    60    35.00000  113.00000
   57    38    42    63.00000  120.00000
   59    52    57    70.00000  120.00000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    50.00000  109.50000
   48    50    73    50.00000  109.50000
   50    55    56    37.50000  110.70000
   50    55    61    58.35000  112.70000
   50    55    63    50.00000  109.50000
   50    73    69    75.00000  109.43000
   50    73    74    37.50000  110.70000
   50    73    76    50.00000  109.50000
   55    50    51    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    65    50.00000  109.50000
   55    61    66    58.35000  112.70000
   55    63    64    55.00000  108.50000
   61    55    56    37.50000  110.70000
   61    65    69    60.00000  109.50000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    71    50.00000  109.50000
   65    61    62    35.00000  109.50000
   65    69    70    35.00000  109.50000
   65    69    73    90.00000  108.56700
   65    69    75    92.60000  111.55000
   69    73    74    45.00000  108.72000
   69    73    76    90.00000  109.38000
   69    75    77    60.00000  109.50000
   73    50    51    37.50000  110.70000
   73    50    55    58.35000  112.70000
   73    69    70    45.00000  112.01100
   73    76    80    60.00000  109.50000
   76    73    74    35.00000  109.50000
   76    80    81    35.00000  109.50000
   76    80    85    90.00000  108.56700
   76    80   105    92.60000  111.55000
   80    85    86    45.00000  108.72000
   80    85    88    75.00000  109.43000
   80    85    90    90.00000  111.58700
   80   105   100    60.00000  109.50000
   85    80    81    45.00000  112.01100
   85    88    89    37.50000  110.70000
   85    88    94    58.35000  112.70000
   85    88    96    50.00000  109.50000
   85    90    91    55.00000  108.50000
   88    85    86    37.50000  110.70000
   88    94    95    37.50000  110.70000
   88    94   100    58.35000  112.70000
   88    94   102    50.00000  109.50000
   88    96    97    55.00000  108.50000
   94    88    89    37.50000  110.70000
   94   100   101    37.50000  110.70000
   94   100   105    50.00000  109.50000
   94   100   106    58.35000  112.70000
   94   102   103    55.00000  108.50000
  100    94    95    37.50000  110.70000
  100   106   107    37.50000  110.70000
  100   106   108    37.50000  110.70000
  100   106   109    37.50000  110.70000
  105    80    81    35.00000  109.50000
  105    80    85    90.00000  108.56700
  105   100   101    35.00000  109.50000
  106   100   101    37.50000  110.70000
  106   100   105    50.00000  109.50000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  102    94    95    35.00000  109.50000
  102    94   100    50.00000  109.50000
   96    88    89    35.00000  109.50000
   96    88    94    50.00000  109.50000
   90    85    86    35.00000  109.50000
   90    85    88    50.00000  109.50000
   75    69    70    35.00000  109.50000
   75    69    73    90.00000  108.56700
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    82    50.00000  109.50000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    87    70.00000  112.17500
   79    77    78    33.00000  107.80000
   82    77    78    37.50000  110.70000
   82    77    79    37.50000  110.70000
   82    87    92    70.00000  120.00000
   82    87   113    70.00000  120.00000
   84    82    83    33.00000  107.80000
   87    82    83    35.00000  109.50000
   87    82    84    35.00000  109.50000
   87    92    93    35.00000  120.00000
   87    92    98    63.00000  120.00000
   87   113   110    63.00000  120.00000
   87   113   114    35.00000  120.00000
   92    98    99    35.00000  120.00000
   92    98   104    63.00000  120.00000
   98    92    93    35.00000  120.00000
   98   104   110    63.00000  120.00000
   98   104   111    70.00000  120.00000
  104    98    99    35.00000  120.00000
  104   110   113    63.00000  120.00000
  104   110   115    70.00000  120.00000
  104   111   112    35.00000  113.00000
  110   113   114    35.00000  120.00000
  110   115   116    35.00000  113.00000
  113    87    92    63.00000  120.00000
  115   110   113    70.00000  120.00000
  111   104   110    70.00000  120.00000
   66    61    62    37.50000  110.70000
   66    61    65    50.00000  109.50000
   66    71    72    55.00000  108.50000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   63    55    56    35.00000  109.50000
   63    55    61    50.00000  109.50000
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
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   75    69    73    50   0.27300  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    76   1.11900  1.0 1.0
   75    69    73    76  -1.16350 -1.0 2.0
   75    69    73    76  -0.34150  1.0 3.0
   75    77    82    83   0.23400  1.0 3.0
   75    77    82    84   0.23400  1.0 3.0
   75    77    82    87  -0.64350  1.0 1.0
   75    77    82    87  -0.04200 -1.0 2.0
   75    77    82    87   0.19800  1.0 3.0
   77    82    87    92   0.04150 -1.0 2.0
   77    82    87   113   0.04150 -1.0 2.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    87   0.43200  1.0 3.0
   79    77    82    83   0.15000  1.0 3.0
   79    77    82    84   0.15000  1.0 3.0
   79    77    82    87   0.43200  1.0 3.0
   82    87    92    93   3.62500 -1.0 2.0
   82    87    92    98   3.62500 -1.0 2.0
   82    87   113   110   3.62500 -1.0 2.0
   82    87   113   114   3.62500 -1.0 2.0
   83    82    87    92   0.00000  1.0 1.0
   83    82    87   113   0.00000  1.0 1.0
   84    82    87    92   0.00000  1.0 1.0
   84    82    87   113   0.00000  1.0 1.0
   87    92    98    99   3.62500 -1.0 2.0
   87    92    98   104   3.62500 -1.0 2.0
   92    87   113   110   3.62500 -1.0 2.0
   92    87   113   114   3.62500 -1.0 2.0
   92    98  -104   110   3.62500 -1.0 2.0
   92    98   104   111   3.62500 -1.0 2.0
   93    92    98    99   3.62500 -1.0 2.0
   93    92    98   104   3.62500 -1.0 2.0
   98   104   110   113   3.62500 -1.0 2.0
   98   104   110   115   3.62500 -1.0 2.0
   98   104   111   112   0.84100 -1.0 2.0
   99    98   104   110   3.62500 -1.0 2.0
   99    98   104   111   3.62500 -1.0 2.0
  104   110  -113    87   3.62500 -1.0 2.0
  104   110   113   114   3.62500 -1.0 2.0
  104   110   115   116   0.84100 -1.0 2.0
  110   104   111   112   0.84100 -1.0 2.0
  113    87    92    93   3.62500 -1.0 2.0
  113    87   -92    98   3.62500 -1.0 2.0
  113   110   115   116   0.84100 -1.0 2.0
  115   110   113    87   3.62500 -1.0 2.0
  115   110   113   114   3.62500 -1.0 2.0
  111   104   110   113   3.62500 -1.0 2.0
  111   104   110   115   3.62500 -1.0 2.0
   66    61    65    69   0.06250  1.0 1.0
   66    61    65    69  -0.01100 -1.0 2.0
   66    61    65    69   0.28050  1.0 3.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72   0.19450  1.0 3.0
   63    55    61    62   0.23400  1.0 3.0
   63    55    61    65   3.69350  1.0 1.0
   63    55    61    65  -1.82950 -1.0 2.0
   63    55    61    66   0.86500  1.0 1.0
   63    55    61    66  -0.17500 -1.0 2.0
   63    55    61    66   0.20800  1.0 3.0
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
   42    57    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   57    59    52    49   4.00000 -1.0 2.0
   52    58    57    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   92   113    87    82   4.00000 -1.0 2.0
   98    93    92    87   1.10000 -1.0 2.0
  104    99    98    92   1.10000 -1.0 2.0
  110   111   104    98   4.00000 -1.0 2.0
  113   115   110   104   4.00000 -1.0 2.0
  110   114   113    87   1.10000 -1.0 2.0
END
